knc6/supercon_tc_jarvis_dft · Datasets at Hugging Face

instruction stringclasses 1 value	input stringlengths 149 157	output stringlengths 44 404	id stringlengths 1 3
Below is a description of a superconductor material.	The chemical formula is MgTaOs2 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.45 4.45 4.45 60 60 60 Mg 0.250 0.250 0.250 Ta 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500	0
Below is a description of a superconductor material.	The chemical formula is Ta2CrSi6 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.77 4.77 6.53 90 90 121 Ta 0.500 -0.000 0.664 Ta 0.000 0.500 0.336 Cr 0.500 0.500 0.000 Si 0.160 0.840 0.000 Si 0.170 0.324 0.675 Si 0.676 0.830 0.325 Si 0.840 0.160 0.000 Si 0.830 0.676 0.675 Si 0.324 0.170 0.325	1
Below is a description of a superconductor material.	The chemical formula is MnV . The Tc_supercon is 4.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.87 2.87 2.87 90 90 90 Mn 0.000 0.000 0.000 V 0.500 0.500 0.500	2
Below is a description of a superconductor material.	The chemical formula is BaMoO3 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.07 4.07 4.07 90 90 90 Ba 0.500 0.500 0.500 Mo 0.000 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500 O 0.500 0.000 0.000	3
Below is a description of a superconductor material.	The chemical formula is VS2 . The Tc_supercon is 1.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.20 3.20 5.84 90 90 119 V 0.000 0.000 0.000 S 0.667 0.333 0.250 S 0.333 0.667 0.750	4
Below is a description of a superconductor material.	The chemical formula is HfCo3B2 . The Tc_supercon is 3.61. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.82 4.82 3.05 90 90 120 Hf 0.000 0.000 0.000 Co 0.000 0.500 0.500 Co 0.500 0.000 0.500 Co 0.500 0.500 0.500 B 0.333 0.667 0.000 B 0.667 0.333 0.000	5
Below is a description of a superconductor material.	The chemical formula is GeMo3 . The Tc_supercon is 2.8. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.96 4.96 4.96 90 90 90 Ge 0.000 0.000 0.000 Ge 0.500 0.500 0.500 Mo 0.250 0.000 0.500 Mo 0.750 0.000 0.500 Mo 0.000 0.500 0.250 Mo 0.000 0.500 0.750 Mo 0.500 0.750 0.000 Mo 0.500 0.250 0.000	6
Below is a description of a superconductor material.	The chemical formula is LiY2Al . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.15 5.15 5.15 60 60 60 Li 0.750 0.750 0.750 Y 0.000 0.000 0.000 Y 0.500 0.500 0.500 Al 0.250 0.250 0.250	7
Below is a description of a superconductor material.	The chemical formula is Nb5Si3N . The Tc_supercon is 2.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.54 7.54 5.44 90 90 120 Nb 0.233 0.000 0.250 Nb 0.333 0.667 0.500 Nb 0.667 0.333 0.000 Nb 0.333 0.667 0.000 Nb 0.233 0.233 0.750 Nb 0.667 0.333 0.500 Nb -0.000 0.767 0.750 Nb 0.000 0.233 0.250 Nb 0.767 -0.000 0.750 Nb 0.767 0.767 0.250 Si 0.594 -0.000 0.250 Si 0.406 0.000 0.750 Si -0.000 0.594 0.250 Si 0.000 0.406 0.750 Si 0.406 0.406 0.250 Si 0.594 0.594 0.750 N 0.000 0.000 0.000 N 0.000 0.000 0.500	8
Below is a description of a superconductor material.	The chemical formula is YTiO3 . The Tc_supercon is 3.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.88 3.88 3.88 90 90 90 Y 0.000 0.000 0.000 Ti 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000	9
Below is a description of a superconductor material.	The chemical formula is HC . The Tc_supercon is 21.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	1.60 1.60 10.83 90 90 90 H 0.000 0.000 0.394 H 0.500 0.500 0.606 C 0.000 0.000 0.857 C 0.500 0.500 0.143	10
Below is a description of a superconductor material.	The chemical formula is ZnRh . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.02 3.02 3.02 90 90 90 Zn 0.500 0.500 0.500 Rh 0.000 0.000 0.000	11
Below is a description of a superconductor material.	The chemical formula is LiAl2Rh . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.27 4.27 4.27 60 60 60 Li 0.000 0.000 0.000 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 Rh 0.500 0.500 0.500	12
Below is a description of a superconductor material.	The chemical formula is Be2CrRu . The Tc_supercon is 1.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.83 2.83 5.36 90 90 90 Be 0.000 0.000 0.025 Be 0.500 0.500 0.226 Cr 0.000 0.000 0.498 Ru 0.500 0.500 0.752	13
Below is a description of a superconductor material.	The chemical formula is SnC2 . The Tc_supercon is 5.81. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.21 4.21 2.73 90 90 120 Sn 0.000 0.000 0.000 C 0.333 0.667 0.000 C 0.667 0.333 0.000	14
Below is a description of a superconductor material.	The chemical formula is VTc . The Tc_supercon is 2.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.02 3.02 3.02 90 90 90 V 0.500 0.500 0.500 Tc 0.000 0.000 0.000	15
Below is a description of a superconductor material.	The chemical formula is LiCa2Ga . The Tc_supercon is 3.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.24 5.24 5.24 60 60 60 Li 0.750 0.750 0.750 Ca 0.500 0.500 0.500 Ca 0.000 0.000 0.000 Ga 0.250 0.250 0.250	16
Below is a description of a superconductor material.	The chemical formula is LaAlO2 . The Tc_supercon is 1.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.24 3.24 5.31 90 90 90 La 0.500 0.500 0.559 Al 0.000 0.000 0.031 O 0.000 0.000 0.370 O 0.500 0.500 0.050	17
Below is a description of a superconductor material.	The chemical formula is Sc2NiOs . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.50 4.50 4.50 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Os 0.750 0.750 0.750	18
Below is a description of a superconductor material.	The chemical formula is TiSi . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.65 5.03 6.57 90 90 90 Ti 0.250 0.372 0.676 Ti 0.750 0.628 0.324 Ti 0.750 0.872 0.824 Ti 0.250 0.128 0.176 Si 0.250 0.853 0.545 Si 0.750 0.147 0.455 Si 0.750 0.353 0.955 Si 0.250 0.647 0.045	19
Below is a description of a superconductor material.	The chemical formula is TiP . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.51 3.51 11.74 90 90 120 Ti 0.333 0.667 0.383 Ti 0.667 0.333 0.883 Ti 0.667 0.333 0.617 Ti 0.333 0.667 0.117 P 0.667 0.333 0.250 P 0.333 0.667 0.750 P 0.000 0.000 0.500 P 0.000 0.000 0.000	20
Below is a description of a superconductor material.	The chemical formula is AsF . The Tc_supercon is 2.28. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.88 3.88 2.73 90 90 120 As 0.000 0.000 0.000 F 0.333 0.667 0.000	21
Below is a description of a superconductor material.	The chemical formula is ScGaNi2 . The Tc_supercon is 1.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.27 4.27 4.27 60 60 59 Sc 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750	22
Below is a description of a superconductor material.	The chemical formula is TaZn3 . The Tc_supercon is 0.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.92 3.92 3.92 90 90 90 Ta 0.000 0.000 0.000 Zn 0.000 0.500 0.500 Zn 0.500 0.000 0.500 Zn 0.500 0.500 0.000	23
Below is a description of a superconductor material.	The chemical formula is CuOF2 . The Tc_supercon is 0.51. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.40 3.40 3.73 90 90 90 Cu 0.500 0.500 0.756 O 0.000 0.000 0.805 F 0.000 0.000 0.191 F 0.500 0.500 0.259	24
Below is a description of a superconductor material.	The chemical formula is LiVRh2 . The Tc_supercon is 0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.17 4.17 4.17 60 59 59 Li 0.250 0.250 0.250 V 0.750 0.750 0.750 Rh 0.000 0.000 1.000 Rh 0.500 0.500 0.500	25
Below is a description of a superconductor material.	The chemical formula is LiAlAg2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.47 4.47 4.47 60 60 60 Li 0.750 0.750 0.750 Al 0.250 0.250 0.250 Ag 0.500 0.500 0.500 Ag 0.000 0.000 0.000	26
Below is a description of a superconductor material.	The chemical formula is ScAlCu2 . The Tc_supercon is 0.21. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.39 4.39 4.39 60 59 60 Sc 0.500 0.500 0.500 Al 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750	27
Below is a description of a superconductor material.	The chemical formula is ScS . The Tc_supercon is 6.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.69 3.69 3.69 59 59 59 Sc 0.500 0.500 0.500 S 0.000 0.000 0.000	28
Below is a description of a superconductor material.	The chemical formula is BaP2Pb . The Tc_supercon is 1.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.32 4.32 6.70 90 90 90 Ba 0.500 0.500 0.847 P 0.000 0.000 0.949 P 0.500 0.500 0.362 Pb 0.000 0.000 0.342	29
Below is a description of a superconductor material.	The chemical formula is VSnRh2 . The Tc_supercon is 3.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.45 4.45 4.45 60 60 60 V 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750	30
Below is a description of a superconductor material.	The chemical formula is IrO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.53 4.53 3.20 90 90 90 Ir 0.500 0.500 0.500 Ir 0.000 0.000 0.000 O 0.691 0.691 0.000 O 0.191 0.809 0.500 O 0.309 0.309 0.000 O 0.809 0.191 0.500	31
Below is a description of a superconductor material.	The chemical formula is Sc2ZnOs . The Tc_supercon is 2.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.61 4.61 4.61 59 60 59 Sc 0.000 0.000 -0.000 Sc 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Os 0.250 0.250 0.250	32
Below is a description of a superconductor material.	The chemical formula is HO2 . The Tc_supercon is 4.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.13 3.11 3.31 74 83 60 H 0.108 0.976 0.001 O 0.211 0.637 0.890 O 0.971 0.408 0.143	33
Below is a description of a superconductor material.	The chemical formula is NbO . The Tc_supercon is 4.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.26 4.26 4.26 90 90 90 Nb 0.000 0.500 0.500 Nb 0.500 0.500 0.000 Nb 0.500 0.000 0.500 O 0.000 0.000 0.500 O 0.000 0.500 0.000 O 0.500 0.000 0.000	34
Below is a description of a superconductor material.	The chemical formula is Zr2AlN . The Tc_supercon is 0.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.26 3.26 14.41 90 90 119 Zr 0.667 0.333 0.911 Zr 0.333 0.667 0.411 Zr 0.333 0.667 0.089 Zr 0.667 0.333 0.589 Al 0.667 0.333 0.250 Al 0.333 0.667 0.750 N 0.000 0.000 0.000 N 0.000 0.000 0.500	35
Below is a description of a superconductor material.	The chemical formula is HfBe5 . The Tc_supercon is 1.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.53 4.53 3.43 90 90 120 Hf 0.000 0.000 0.000 Be 0.333 0.667 0.000 Be 0.667 0.333 0.000 Be 0.000 0.500 0.500 Be 0.500 0.500 0.500 Be 0.500 0.000 0.500	36
Below is a description of a superconductor material.	The chemical formula is ZrB . The Tc_supercon is 3.71. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.48 3.48 3.48 60 60 60 Zr 0.500 0.500 0.500 B 0.000 0.000 0.000	37
Below is a description of a superconductor material.	The chemical formula is MgTiH4 . The Tc_supercon is 0.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.17 3.17 4.65 90 90 90 Mg 0.500 0.500 0.500 Ti 0.000 0.000 0.000 H 0.500 0.000 0.237 H 0.000 0.500 0.237 H 0.500 0.000 0.763 H 0.000 0.500 0.763	38
Below is a description of a superconductor material.	The chemical formula is ScSi2 . The Tc_supercon is 11.39. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 4.05 3.63 90 90 120 Sc 0.000 0.000 0.000 Si 0.667 0.333 0.500 Si 0.333 0.667 0.500	39
Below is a description of a superconductor material.	The chemical formula is NbPbO3 . The Tc_supercon is 2.49. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.10 4.10 4.10 90 90 90 Nb 0.000 0.000 0.000 Pb 0.500 0.500 0.500 O 0.000 0.500 0.000 O 0.000 0.000 0.500 O 0.500 0.000 0.000	40
Below is a description of a superconductor material.	The chemical formula is Cr2GeC . The Tc_supercon is 4.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.95 2.95 11.95 90 90 119 Cr 0.667 0.333 0.414 Cr 0.333 0.667 0.586 Cr 0.333 0.667 0.914 Cr 0.667 0.333 0.086 Ge 0.667 0.333 0.750 Ge 0.333 0.667 0.250 C 0.000 0.000 0.500 C 0.000 0.000 0.000	41
Below is a description of a superconductor material.	The chemical formula is PdF2 . The Tc_supercon is 2.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.83 4.83 3.55 90 90 90 Pd 0.500 0.500 0.500 Pd 0.000 0.000 0.000 F 0.696 0.696 0.000 F 0.196 0.804 0.500 F 0.304 0.304 0.000 F 0.804 0.196 0.500	42
Below is a description of a superconductor material.	The chemical formula is ScAl2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.37 5.37 5.37 60 60 60 Sc 0.875 0.875 0.875 Sc 0.125 0.125 0.125 Al 0.500 0.500 0.500 Al 0.500 0.500 0.000 Al 0.000 0.500 0.500 Al 0.500 0.000 0.500	43
Below is a description of a superconductor material.	The chemical formula is Nb3Si . The Tc_supercon is 16.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.14 5.14 5.14 90 90 90 Nb 0.000 0.500 0.250 Nb 0.000 0.500 0.750 Nb 0.500 0.750 0.000 Nb 0.500 0.250 0.000 Nb 0.750 0.000 0.500 Nb 0.250 0.000 0.500 Si 0.500 0.500 0.500 Si 0.000 0.000 0.000	44
Below is a description of a superconductor material.	The chemical formula is RbMgF . The Tc_supercon is 2.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.16 7.53 3.48 90 90 60 Rb 0.184 0.377 0.000 Mg 0.204 -0.148 0.000 F -0.102 0.140 0.000	45
Below is a description of a superconductor material.	The chemical formula is LiZn2Rh . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.26 4.26 4.26 60 60 60 Li 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Zn 0.500 0.500 0.500 Rh 0.750 0.750 0.750	46
Below is a description of a superconductor material.	The chemical formula is CaZrO2 . The Tc_supercon is 5.43. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.13 3.13 6.06 90 90 119 Ca 0.000 0.000 0.500 Zr 0.000 0.000 0.000 O 0.333 0.667 0.746 O 0.667 0.333 0.254	47
Below is a description of a superconductor material.	The chemical formula is Li2AlN2 . The Tc_supercon is 1.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.04 3.04 5.33 90 90 120 Li 0.667 0.333 0.366 Li 0.333 0.667 0.634 Al 0.000 0.000 0.000 N 0.667 0.333 0.793 N 0.333 0.667 0.207	48
Below is a description of a superconductor material.	The chemical formula is Cr3Ge . The Tc_supercon is 2.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.58 4.58 4.58 90 90 90 Cr 0.250 0.000 0.500 Cr 0.750 0.000 0.500 Cr 0.000 0.500 0.250 Cr 0.000 0.500 0.750 Cr 0.500 0.750 0.000 Cr 0.500 0.250 0.000 Ge 0.000 0.000 0.000 Ge 0.500 0.500 0.500	49
Below is a description of a superconductor material.	The chemical formula is CaB6 . The Tc_supercon is 0.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.14 4.14 4.14 90 90 90 Ca 0.000 0.000 0.000 B 0.202 0.500 0.500 B 0.500 0.500 0.798 B 0.500 0.500 0.202 B 0.500 0.202 0.500 B 0.500 0.798 0.500 B 0.798 0.500 0.500	50
Below is a description of a superconductor material.	The chemical formula is ScAlPd2 . The Tc_supercon is 3.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.51 4.51 4.51 60 60 60 Sc 0.500 0.500 0.500 Al 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Pd 0.750 0.750 0.750	51
Below is a description of a superconductor material.	The chemical formula is CrB2 . The Tc_supercon is 2.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.96 2.96 3.04 90 90 120 Cr 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500	52
Below is a description of a superconductor material.	The chemical formula is Cr3RhN . The Tc_supercon is 19.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.81 3.81 3.81 90 90 90 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.000 Rh 0.000 0.000 0.000 N 0.500 0.500 0.500	53
Below is a description of a superconductor material.	The chemical formula is LiP2 . The Tc_supercon is 3.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.19 4.05 4.10 105 102 39 Li 0.122 0.092 0.998 P 0.872 0.729 0.605 P 0.372 0.455 0.391	54
Below is a description of a superconductor material.	The chemical formula is BePCl . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.05 3.05 7.41 90 90 90 Be 0.000 0.000 0.318 P 0.000 0.000 0.593 Cl 0.000 0.000 0.077	55
Below is a description of a superconductor material.	The chemical formula is TiS . The Tc_supercon is 0.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.28 3.28 6.44 90 90 120 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.500 S 0.333 0.667 0.250 S 0.667 0.333 0.750	56
Below is a description of a superconductor material.	The chemical formula is LiMnAs . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.94 3.94 3.94 60 60 60 Li 0.500 0.500 0.500 Mn 0.000 0.000 0.000 As 0.750 0.750 0.750	57
Below is a description of a superconductor material.	The chemical formula is VB . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.97 3.05 4.31 110 90 90 V 0.250 0.852 0.704 V 0.750 0.148 0.296 B 0.250 0.562 0.123 B 0.750 0.438 0.877	58
Below is a description of a superconductor material.	The chemical formula is Co2N . The Tc_supercon is 1.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.84 4.28 4.56 90 90 90 Co 0.500 0.230 0.824 Co 0.500 0.770 0.176 Co 0.000 0.270 0.324 Co 0.000 0.730 0.676 N 0.500 0.500 0.500 N 0.000 0.000 0.000	59
Below is a description of a superconductor material.	The chemical formula is V6GeOs . The Tc_supercon is 7.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.77 4.77 4.77 90 90 90 V 0.000 0.500 0.747 V 0.500 0.253 0.000 V 0.747 0.000 0.500 V 0.000 0.500 0.253 V 0.500 0.747 0.000 V 0.253 0.000 0.500 Ge 0.000 0.000 0.000 Os 0.500 0.500 0.500	60
Below is a description of a superconductor material.	The chemical formula is BeNb2Ir . The Tc_supercon is 3.66. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.88 2.88 7.24 90 90 90 Be 0.000 0.000 0.543 Nb 0.000 0.000 0.966 Nb 0.500 0.500 0.289 Ir 0.500 0.500 0.701	61
Below is a description of a superconductor material.	The chemical formula is Al2RuRh . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.24 4.24 4.24 60 60 60 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Rh 0.250 0.250 0.250	62
Below is a description of a superconductor material.	The chemical formula is NbO3 . The Tc_supercon is 5.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.84 4.68 3.35 71 65 55 Nb 0.888 0.774 -0.036 O 0.240 0.861 0.243 O 0.515 0.265 0.896 O 0.868 0.548 0.575	63
Below is a description of a superconductor material.	The chemical formula is LiIr . The Tc_supercon is 2.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.67 2.67 4.35 90 90 119 Li 0.333 0.667 0.500 Ir 0.000 0.000 0.000	64
Below is a description of a superconductor material.	The chemical formula is AlVFe2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.03 4.03 4.03 60 60 60 Al 0.000 0.000 0.000 V 0.500 0.500 0.500 Fe 0.250 0.250 0.250 Fe 0.750 0.750 0.750	65
Below is a description of a superconductor material.	The chemical formula is TiZn3 . The Tc_supercon is 1.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.92 3.92 3.92 90 90 90 Ti 0.000 0.000 0.000 Zn 0.000 0.500 0.500 Zn 0.500 0.500 0.000 Zn 0.500 0.000 0.500	66
Below is a description of a superconductor material.	The chemical formula is Sc2AlCd . The Tc_supercon is 1.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.89 4.89 4.89 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.250 0.250 0.250 Cd 0.750 0.750 0.750	67
Below is a description of a superconductor material.	The chemical formula is AlCo3C . The Tc_supercon is 0.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.73 3.73 3.73 90 90 90 Al 0.000 0.000 0.000 Co 0.000 0.500 0.500 Co 0.500 0.000 0.500 Co 0.500 0.500 0.000 C 0.500 0.500 0.500	68
Below is a description of a superconductor material.	The chemical formula is RbRhF3 . The Tc_supercon is 1.86. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.25 4.25 4.25 90 90 90 Rb 0.000 0.000 0.000 Rh 0.500 0.500 0.500 F 0.500 0.500 0.000 F 0.500 0.000 0.500 F 0.000 0.500 0.500	69
Below is a description of a superconductor material.	The chemical formula is Si2Ru . The Tc_supercon is 0.17. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.90 2.90 5.29 90 90 90 Si 0.500 0.500 0.721 Si 0.500 0.500 0.279 Ru 0.000 0.000 0.000	70
Below is a description of a superconductor material.	The chemical formula is TiBeZn2 . The Tc_supercon is 1.4. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.23 4.23 4.23 119 119 90 Ti 0.750 0.250 0.500 Be 0.500 0.500 0.000 Zn 0.000 0.000 0.000 Zn 0.250 0.750 0.500	71
Below is a description of a superconductor material.	The chemical formula is Ti3TlC . The Tc_supercon is 1.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.25 4.25 4.25 90 90 90 Ti 0.000 0.500 0.500 Ti 0.500 0.500 0.000 Ti 0.500 0.000 0.500 Tl 0.000 0.000 0.000 C 0.500 0.500 0.500	72
Below is a description of a superconductor material.	The chemical formula is Li2P . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.36 3.88 4.66 36 77 61 Li 0.637 0.519 0.212 Li 0.275 0.866 0.546 P 0.956 0.192 -0.121	73
Below is a description of a superconductor material.	The chemical formula is Ti3Al . The Tc_supercon is 3.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.73 5.73 4.66 90 90 120 Ti 0.169 0.339 0.750 Ti 0.339 0.169 0.250 Ti 0.831 0.169 0.250 Ti 0.169 0.831 0.750 Ti 0.661 0.831 0.750 Ti 0.831 0.661 0.250 Al 0.667 0.333 0.750 Al 0.333 0.667 0.250	74
Below is a description of a superconductor material.	The chemical formula is BaVO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.96 3.96 3.96 90 90 90 Ba 0.000 0.000 0.000 V 0.500 0.500 0.500 O 0.500 0.000 0.500 O 0.000 0.500 0.500 O 0.500 0.500 0.000	75
Below is a description of a superconductor material.	The chemical formula is VCr . The Tc_supercon is 5.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.90 2.90 2.90 90 90 90 V 0.500 0.500 0.500 Cr 0.000 0.000 0.000	76
Below is a description of a superconductor material.	The chemical formula is BeZn2Ru . The Tc_supercon is 5.61. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.02 3.02 5.67 90 90 90 Be 0.000 0.000 0.544 Zn 0.000 0.000 0.981 Zn 0.500 0.500 0.262 Ru 0.500 0.500 0.713	77
Below is a description of a superconductor material.	The chemical formula is TiBeCo2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.94 3.94 3.94 60 60 60 Ti 0.750 0.750 0.750 Be 0.250 0.250 0.250 Co 0.500 0.500 0.500 Co 0.000 0.000 0.000	78
Below is a description of a superconductor material.	The chemical formula is ZrNbB4 . The Tc_supercon is 0.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.14 3.14 6.92 90 90 120 Zr 0.000 0.000 0.500 Nb 0.000 0.000 0.000 B 0.667 0.333 0.757 B 0.667 0.333 0.243 B 0.333 0.667 0.757 B 0.333 0.667 0.243	79
Below is a description of a superconductor material.	The chemical formula is AgF2 . The Tc_supercon is 0.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.11 3.02 3.92 90 90 90 Ag 0.633 0.000 -0.033 F -0.367 0.000 -0.533 F 0.133 0.000 -0.033	80
Below is a description of a superconductor material.	The chemical formula is V2CrS4 . The Tc_supercon is 1.94. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.17 5.83 6.39 114 104 90 V 0.741 0.685 0.482 V 0.259 0.315 0.518 Cr 0.000 0.000 0.000 S 0.636 0.974 0.273 S 0.364 0.026 0.727 S 0.895 0.563 0.790 S 0.105 0.437 0.210	81
Below is a description of a superconductor material.	The chemical formula is TiAlCu2 . The Tc_supercon is 0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.27 4.27 4.27 60 60 60 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750	82
Below is a description of a superconductor material.	The chemical formula is ZrN . The Tc_supercon is 29.53. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.78 3.78 4.61 90 90 120 Zr 0.333 0.667 0.438 Zr 0.667 0.333 0.938 N 0.333 0.667 0.938 N 0.667 0.333 0.438	83
Below is a description of a superconductor material.	The chemical formula is CaAs . The Tc_supercon is 1.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.23 4.23 5.99 90 90 90 Ca 0.000 0.000 0.250 Ca 0.500 0.500 0.750 As 0.000 0.000 0.750 As 0.500 0.500 0.250	84
Below is a description of a superconductor material.	The chemical formula is Sc2MnSi . The Tc_supercon is 2.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.52 4.52 4.52 60 60 60 Sc 0.250 0.250 0.250 Sc 0.750 0.750 0.750 Mn 0.500 0.500 0.500 Si 0.000 0.000 0.000	85
Below is a description of a superconductor material.	The chemical formula is Cr3Ir . The Tc_supercon is 13.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.64 4.64 4.64 90 90 90 Cr 0.250 0.000 0.500 Cr 0.750 0.000 0.500 Cr 0.000 0.500 0.250 Cr 0.000 0.500 0.750 Cr 0.500 0.750 0.000 Cr 0.500 0.250 0.000 Ir 0.000 0.000 0.000 Ir 0.500 0.500 0.500	86
Below is a description of a superconductor material.	The chemical formula is BaNi2P4 . The Tc_supercon is 0.78. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.50 5.50 5.50 106 106 115 Ba 0.000 0.000 0.000 Ni 0.250 0.750 0.500 Ni 0.750 0.250 0.500 P 0.500 0.743 0.243 P 0.743 0.500 0.243 P 0.257 0.500 0.757 P 0.500 0.257 0.757	87
Below is a description of a superconductor material.	The chemical formula is NaZnO2 . The Tc_supercon is 0.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.11 3.11 4.36 90 90 90 Na 0.000 0.000 0.250 Zn 0.500 0.500 0.750 O 0.000 0.000 0.750 O 0.500 0.500 0.250	88
Below is a description of a superconductor material.	The chemical formula is V3Rh . The Tc_supercon is 3.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.77 4.77 4.77 90 90 90 V 0.500 0.250 0.000 V 0.500 0.750 0.000 V 0.250 0.000 0.500 V 0.750 0.000 0.500 V 0.000 0.500 0.250 V 0.000 0.500 0.750 Rh 0.500 0.500 0.500 Rh 0.000 0.000 0.000	89
Below is a description of a superconductor material.	The chemical formula is Ti2BeCo . The Tc_supercon is 3.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.88 2.88 6.17 90 90 90 Ti 0.000 0.000 0.966 Ti 0.500 0.500 0.273 Be 0.000 0.000 0.546 Co 0.500 0.500 0.715	90
Below is a description of a superconductor material.	The chemical formula is SrNbNO2 . The Tc_supercon is 7.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.08 4.08 4.11 90 90 90 Sr 0.000 0.000 0.000 Nb 0.500 0.500 0.500 N 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500	91
Below is a description of a superconductor material.	The chemical formula is YVO3 . The Tc_supercon is 4.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.81 3.81 3.81 90 90 90 Y 0.000 0.000 0.000 V 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000	92
Below is a description of a superconductor material.	The chemical formula is LiTiS2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.44 3.44 6.17 90 90 120 Li 0.000 0.000 0.500 Ti 0.000 0.000 0.000 S 0.333 0.667 0.239 S 0.667 0.333 0.761	93
Below is a description of a superconductor material.	The chemical formula is ScBeRh . The Tc_supercon is 5.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.01 4.01 3.22 90 90 119 Sc 0.667 0.333 0.667 Be 0.000 0.000 0.167 Rh 0.333 0.667 0.167	94
Below is a description of a superconductor material.	The chemical formula is TiBeP . The Tc_supercon is 8.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.55 4.79 2.82 90 90 111 Ti 0.084 0.431 0.000 Be -0.227 -0.192 0.000 P 0.386 0.033 0.000	95
Below is a description of a superconductor material.	The chemical formula is ScGe . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.79 4.00 5.44 111 90 90 Sc 0.750 0.135 0.271 Sc 0.250 0.865 0.729 Ge 0.750 0.408 0.816 Ge 0.250 0.592 0.184	96
Below is a description of a superconductor material.	The chemical formula is As2Se . The Tc_supercon is 9.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.78 2.78 8.05 90 90 90 As 0.000 0.000 0.347 As 0.000 0.000 0.653 Se 0.000 0.000 0.000	97
Below is a description of a superconductor material.	The chemical formula is CoO2 . The Tc_supercon is 1.08. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.16 5.16 5.73 56 56 71 Co 0.125 0.125 0.875 Co 0.125 0.125 0.375 Co 0.625 0.625 0.125 Co 0.625 0.625 0.625 O 0.320 0.320 0.430 O 0.430 0.820 0.375 O 0.320 0.320 0.930 O 0.820 0.430 0.375 O 0.430 0.820 0.875 O 0.820 0.430 0.875 O 0.930 0.930 0.320 O 0.930 0.930 0.820	98
Below is a description of a superconductor material.	The chemical formula is B2Mo . The Tc_supercon is 13.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.02 3.02 3.38 90 90 119 B 0.667 0.333 0.500 B 0.333 0.667 0.500 Mo 0.000 0.000 0.000	99

Below is a description of a superconductor material.

The chemical formula is MgTaOs2 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.45 4.45 4.45 60 60 60 Mg 0.250 0.250 0.250 Ta 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500

0

Below is a description of a superconductor material.

The chemical formula is Ta2CrSi6 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.77 4.77 6.53 90 90 121 Ta 0.500 -0.000 0.664 Ta 0.000 0.500 0.336 Cr 0.500 0.500 0.000 Si 0.160 0.840 0.000 Si 0.170 0.324 0.675 Si 0.676 0.830 0.325 Si 0.840 0.160 0.000 Si 0.830 0.676 0.675 Si 0.324 0.170 0.325

1

Below is a description of a superconductor material.

The chemical formula is MnV . The Tc_supercon is 4.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.87 2.87 2.87 90 90 90 Mn 0.000 0.000 0.000 V 0.500 0.500 0.500

2

Below is a description of a superconductor material.

The chemical formula is BaMoO3 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.07 4.07 4.07 90 90 90 Ba 0.500 0.500 0.500 Mo 0.000 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500 O 0.500 0.000 0.000

3

Below is a description of a superconductor material.

The chemical formula is VS2 . The Tc_supercon is 1.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.20 3.20 5.84 90 90 119 V 0.000 0.000 0.000 S 0.667 0.333 0.250 S 0.333 0.667 0.750

4

Below is a description of a superconductor material.

The chemical formula is HfCo3B2 . The Tc_supercon is 3.61. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.82 4.82 3.05 90 90 120 Hf 0.000 0.000 0.000 Co 0.000 0.500 0.500 Co 0.500 0.000 0.500 Co 0.500 0.500 0.500 B 0.333 0.667 0.000 B 0.667 0.333 0.000

5

Below is a description of a superconductor material.

The chemical formula is GeMo3 . The Tc_supercon is 2.8. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.96 4.96 4.96 90 90 90 Ge 0.000 0.000 0.000 Ge 0.500 0.500 0.500 Mo 0.250 0.000 0.500 Mo 0.750 0.000 0.500 Mo 0.000 0.500 0.250 Mo 0.000 0.500 0.750 Mo 0.500 0.750 0.000 Mo 0.500 0.250 0.000

6

Below is a description of a superconductor material.

The chemical formula is LiY2Al . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.15 5.15 5.15 60 60 60 Li 0.750 0.750 0.750 Y 0.000 0.000 0.000 Y 0.500 0.500 0.500 Al 0.250 0.250 0.250

7

Below is a description of a superconductor material.

The chemical formula is Nb5Si3N . The Tc_supercon is 2.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

7.54 7.54 5.44 90 90 120 Nb 0.233 0.000 0.250 Nb 0.333 0.667 0.500 Nb 0.667 0.333 0.000 Nb 0.333 0.667 0.000 Nb 0.233 0.233 0.750 Nb 0.667 0.333 0.500 Nb -0.000 0.767 0.750 Nb 0.000 0.233 0.250 Nb 0.767 -0.000 0.750 Nb 0.767 0.767 0.250 Si 0.594 -0.000 0.250 Si 0.406 0.000 0.750 Si -0.000 0.594 0.250 Si 0.000 0.406 0.750 Si 0.406 0.406 0.250 Si 0.594 0.594 0.750 N 0.000 0.000 0.000 N 0.000 0.000 0.500

8

Below is a description of a superconductor material.

The chemical formula is YTiO3 . The Tc_supercon is 3.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.88 3.88 3.88 90 90 90 Y 0.000 0.000 0.000 Ti 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000

9

Below is a description of a superconductor material.

The chemical formula is HC . The Tc_supercon is 21.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

1.60 1.60 10.83 90 90 90 H 0.000 0.000 0.394 H 0.500 0.500 0.606 C 0.000 0.000 0.857 C 0.500 0.500 0.143

10

Below is a description of a superconductor material.

The chemical formula is ZnRh . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.02 3.02 3.02 90 90 90 Zn 0.500 0.500 0.500 Rh 0.000 0.000 0.000

11

Below is a description of a superconductor material.

The chemical formula is LiAl2Rh . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.27 4.27 4.27 60 60 60 Li 0.000 0.000 0.000 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 Rh 0.500 0.500 0.500

12

Below is a description of a superconductor material.

The chemical formula is Be2CrRu . The Tc_supercon is 1.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.83 2.83 5.36 90 90 90 Be 0.000 0.000 0.025 Be 0.500 0.500 0.226 Cr 0.000 0.000 0.498 Ru 0.500 0.500 0.752

13

Below is a description of a superconductor material.

The chemical formula is SnC2 . The Tc_supercon is 5.81. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.21 4.21 2.73 90 90 120 Sn 0.000 0.000 0.000 C 0.333 0.667 0.000 C 0.667 0.333 0.000

14

Below is a description of a superconductor material.

The chemical formula is VTc . The Tc_supercon is 2.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.02 3.02 3.02 90 90 90 V 0.500 0.500 0.500 Tc 0.000 0.000 0.000

15

Below is a description of a superconductor material.

The chemical formula is LiCa2Ga . The Tc_supercon is 3.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.24 5.24 5.24 60 60 60 Li 0.750 0.750 0.750 Ca 0.500 0.500 0.500 Ca 0.000 0.000 0.000 Ga 0.250 0.250 0.250

16

Below is a description of a superconductor material.

The chemical formula is LaAlO2 . The Tc_supercon is 1.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.24 3.24 5.31 90 90 90 La 0.500 0.500 0.559 Al 0.000 0.000 0.031 O 0.000 0.000 0.370 O 0.500 0.500 0.050

17

Below is a description of a superconductor material.

The chemical formula is Sc2NiOs . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.50 4.50 4.50 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Os 0.750 0.750 0.750

18

Below is a description of a superconductor material.

The chemical formula is TiSi . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.65 5.03 6.57 90 90 90 Ti 0.250 0.372 0.676 Ti 0.750 0.628 0.324 Ti 0.750 0.872 0.824 Ti 0.250 0.128 0.176 Si 0.250 0.853 0.545 Si 0.750 0.147 0.455 Si 0.750 0.353 0.955 Si 0.250 0.647 0.045

19

Below is a description of a superconductor material.

The chemical formula is TiP . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.51 3.51 11.74 90 90 120 Ti 0.333 0.667 0.383 Ti 0.667 0.333 0.883 Ti 0.667 0.333 0.617 Ti 0.333 0.667 0.117 P 0.667 0.333 0.250 P 0.333 0.667 0.750 P 0.000 0.000 0.500 P 0.000 0.000 0.000

20

Below is a description of a superconductor material.

The chemical formula is AsF . The Tc_supercon is 2.28. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.88 3.88 2.73 90 90 120 As 0.000 0.000 0.000 F 0.333 0.667 0.000

21

Below is a description of a superconductor material.

The chemical formula is ScGaNi2 . The Tc_supercon is 1.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.27 4.27 4.27 60 60 59 Sc 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750

22

Below is a description of a superconductor material.

The chemical formula is TaZn3 . The Tc_supercon is 0.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.92 3.92 3.92 90 90 90 Ta 0.000 0.000 0.000 Zn 0.000 0.500 0.500 Zn 0.500 0.000 0.500 Zn 0.500 0.500 0.000

23

Below is a description of a superconductor material.

The chemical formula is CuOF2 . The Tc_supercon is 0.51. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.40 3.40 3.73 90 90 90 Cu 0.500 0.500 0.756 O 0.000 0.000 0.805 F 0.000 0.000 0.191 F 0.500 0.500 0.259

24

Below is a description of a superconductor material.

The chemical formula is LiVRh2 . The Tc_supercon is 0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.17 4.17 4.17 60 59 59 Li 0.250 0.250 0.250 V 0.750 0.750 0.750 Rh 0.000 0.000 1.000 Rh 0.500 0.500 0.500

25

Below is a description of a superconductor material.

The chemical formula is LiAlAg2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.47 4.47 4.47 60 60 60 Li 0.750 0.750 0.750 Al 0.250 0.250 0.250 Ag 0.500 0.500 0.500 Ag 0.000 0.000 0.000

26

Below is a description of a superconductor material.

The chemical formula is ScAlCu2 . The Tc_supercon is 0.21. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.39 4.39 4.39 60 59 60 Sc 0.500 0.500 0.500 Al 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750

27

Below is a description of a superconductor material.

The chemical formula is ScS . The Tc_supercon is 6.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.69 3.69 3.69 59 59 59 Sc 0.500 0.500 0.500 S 0.000 0.000 0.000

28

Below is a description of a superconductor material.

The chemical formula is BaP2Pb . The Tc_supercon is 1.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.32 4.32 6.70 90 90 90 Ba 0.500 0.500 0.847 P 0.000 0.000 0.949 P 0.500 0.500 0.362 Pb 0.000 0.000 0.342

29

Below is a description of a superconductor material.

The chemical formula is VSnRh2 . The Tc_supercon is 3.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.45 4.45 4.45 60 60 60 V 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750

30

Below is a description of a superconductor material.

The chemical formula is IrO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.53 4.53 3.20 90 90 90 Ir 0.500 0.500 0.500 Ir 0.000 0.000 0.000 O 0.691 0.691 0.000 O 0.191 0.809 0.500 O 0.309 0.309 0.000 O 0.809 0.191 0.500

31

Below is a description of a superconductor material.

The chemical formula is Sc2ZnOs . The Tc_supercon is 2.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.61 4.61 4.61 59 60 59 Sc 0.000 0.000 -0.000 Sc 0.500 0.500 0.500 Zn 0.750 0.750 0.750 Os 0.250 0.250 0.250

32

Below is a description of a superconductor material.

The chemical formula is HO2 . The Tc_supercon is 4.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.13 3.11 3.31 74 83 60 H 0.108 0.976 0.001 O 0.211 0.637 0.890 O 0.971 0.408 0.143

33

Below is a description of a superconductor material.

The chemical formula is NbO . The Tc_supercon is 4.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.26 4.26 4.26 90 90 90 Nb 0.000 0.500 0.500 Nb 0.500 0.500 0.000 Nb 0.500 0.000 0.500 O 0.000 0.000 0.500 O 0.000 0.500 0.000 O 0.500 0.000 0.000

34

Below is a description of a superconductor material.

The chemical formula is Zr2AlN . The Tc_supercon is 0.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.26 3.26 14.41 90 90 119 Zr 0.667 0.333 0.911 Zr 0.333 0.667 0.411 Zr 0.333 0.667 0.089 Zr 0.667 0.333 0.589 Al 0.667 0.333 0.250 Al 0.333 0.667 0.750 N 0.000 0.000 0.000 N 0.000 0.000 0.500

35

Below is a description of a superconductor material.

The chemical formula is HfBe5 . The Tc_supercon is 1.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.53 4.53 3.43 90 90 120 Hf 0.000 0.000 0.000 Be 0.333 0.667 0.000 Be 0.667 0.333 0.000 Be 0.000 0.500 0.500 Be 0.500 0.500 0.500 Be 0.500 0.000 0.500

36

Below is a description of a superconductor material.

The chemical formula is ZrB . The Tc_supercon is 3.71. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.48 3.48 3.48 60 60 60 Zr 0.500 0.500 0.500 B 0.000 0.000 0.000

37

Below is a description of a superconductor material.

The chemical formula is MgTiH4 . The Tc_supercon is 0.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.17 3.17 4.65 90 90 90 Mg 0.500 0.500 0.500 Ti 0.000 0.000 0.000 H 0.500 0.000 0.237 H 0.000 0.500 0.237 H 0.500 0.000 0.763 H 0.000 0.500 0.763

38

Below is a description of a superconductor material.

The chemical formula is ScSi2 . The Tc_supercon is 11.39. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.05 4.05 3.63 90 90 120 Sc 0.000 0.000 0.000 Si 0.667 0.333 0.500 Si 0.333 0.667 0.500

39

Below is a description of a superconductor material.

The chemical formula is NbPbO3 . The Tc_supercon is 2.49. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.10 4.10 4.10 90 90 90 Nb 0.000 0.000 0.000 Pb 0.500 0.500 0.500 O 0.000 0.500 0.000 O 0.000 0.000 0.500 O 0.500 0.000 0.000

40

Below is a description of a superconductor material.

The chemical formula is Cr2GeC . The Tc_supercon is 4.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.95 2.95 11.95 90 90 119 Cr 0.667 0.333 0.414 Cr 0.333 0.667 0.586 Cr 0.333 0.667 0.914 Cr 0.667 0.333 0.086 Ge 0.667 0.333 0.750 Ge 0.333 0.667 0.250 C 0.000 0.000 0.500 C 0.000 0.000 0.000

41

Below is a description of a superconductor material.

The chemical formula is PdF2 . The Tc_supercon is 2.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.83 4.83 3.55 90 90 90 Pd 0.500 0.500 0.500 Pd 0.000 0.000 0.000 F 0.696 0.696 0.000 F 0.196 0.804 0.500 F 0.304 0.304 0.000 F 0.804 0.196 0.500

42

Below is a description of a superconductor material.

The chemical formula is ScAl2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.37 5.37 5.37 60 60 60 Sc 0.875 0.875 0.875 Sc 0.125 0.125 0.125 Al 0.500 0.500 0.500 Al 0.500 0.500 0.000 Al 0.000 0.500 0.500 Al 0.500 0.000 0.500

43

Below is a description of a superconductor material.

The chemical formula is Nb3Si . The Tc_supercon is 16.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.14 5.14 5.14 90 90 90 Nb 0.000 0.500 0.250 Nb 0.000 0.500 0.750 Nb 0.500 0.750 0.000 Nb 0.500 0.250 0.000 Nb 0.750 0.000 0.500 Nb 0.250 0.000 0.500 Si 0.500 0.500 0.500 Si 0.000 0.000 0.000

44

Below is a description of a superconductor material.

The chemical formula is RbMgF . The Tc_supercon is 2.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.16 7.53 3.48 90 90 60 Rb 0.184 0.377 0.000 Mg 0.204 -0.148 0.000 F -0.102 0.140 0.000

45

Below is a description of a superconductor material.

The chemical formula is LiZn2Rh . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.26 4.26 4.26 60 60 60 Li 0.250 0.250 0.250 Zn 0.000 0.000 0.000 Zn 0.500 0.500 0.500 Rh 0.750 0.750 0.750

46

Below is a description of a superconductor material.

The chemical formula is CaZrO2 . The Tc_supercon is 5.43. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.13 3.13 6.06 90 90 119 Ca 0.000 0.000 0.500 Zr 0.000 0.000 0.000 O 0.333 0.667 0.746 O 0.667 0.333 0.254

47

Below is a description of a superconductor material.

The chemical formula is Li2AlN2 . The Tc_supercon is 1.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.04 3.04 5.33 90 90 120 Li 0.667 0.333 0.366 Li 0.333 0.667 0.634 Al 0.000 0.000 0.000 N 0.667 0.333 0.793 N 0.333 0.667 0.207

48

Below is a description of a superconductor material.

The chemical formula is Cr3Ge . The Tc_supercon is 2.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.58 4.58 4.58 90 90 90 Cr 0.250 0.000 0.500 Cr 0.750 0.000 0.500 Cr 0.000 0.500 0.250 Cr 0.000 0.500 0.750 Cr 0.500 0.750 0.000 Cr 0.500 0.250 0.000 Ge 0.000 0.000 0.000 Ge 0.500 0.500 0.500

49

Below is a description of a superconductor material.

The chemical formula is CaB6 . The Tc_supercon is 0.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.14 4.14 4.14 90 90 90 Ca 0.000 0.000 0.000 B 0.202 0.500 0.500 B 0.500 0.500 0.798 B 0.500 0.500 0.202 B 0.500 0.202 0.500 B 0.500 0.798 0.500 B 0.798 0.500 0.500

50

Below is a description of a superconductor material.

The chemical formula is ScAlPd2 . The Tc_supercon is 3.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.51 4.51 4.51 60 60 60 Sc 0.500 0.500 0.500 Al 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Pd 0.750 0.750 0.750

51

Below is a description of a superconductor material.

The chemical formula is CrB2 . The Tc_supercon is 2.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.96 2.96 3.04 90 90 120 Cr 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500

52

Below is a description of a superconductor material.

The chemical formula is Cr3RhN . The Tc_supercon is 19.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.81 3.81 3.81 90 90 90 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.000 Rh 0.000 0.000 0.000 N 0.500 0.500 0.500

53

Below is a description of a superconductor material.

The chemical formula is LiP2 . The Tc_supercon is 3.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.19 4.05 4.10 105 102 39 Li 0.122 0.092 0.998 P 0.872 0.729 0.605 P 0.372 0.455 0.391

54

Below is a description of a superconductor material.

The chemical formula is BePCl . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.05 3.05 7.41 90 90 90 Be 0.000 0.000 0.318 P 0.000 0.000 0.593 Cl 0.000 0.000 0.077

55

Below is a description of a superconductor material.

The chemical formula is TiS . The Tc_supercon is 0.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.28 3.28 6.44 90 90 120 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.500 S 0.333 0.667 0.250 S 0.667 0.333 0.750

56

Below is a description of a superconductor material.

The chemical formula is LiMnAs . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.94 3.94 3.94 60 60 60 Li 0.500 0.500 0.500 Mn 0.000 0.000 0.000 As 0.750 0.750 0.750

57

Below is a description of a superconductor material.

The chemical formula is VB . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.97 3.05 4.31 110 90 90 V 0.250 0.852 0.704 V 0.750 0.148 0.296 B 0.250 0.562 0.123 B 0.750 0.438 0.877

58

Below is a description of a superconductor material.

The chemical formula is Co2N . The Tc_supercon is 1.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.84 4.28 4.56 90 90 90 Co 0.500 0.230 0.824 Co 0.500 0.770 0.176 Co 0.000 0.270 0.324 Co 0.000 0.730 0.676 N 0.500 0.500 0.500 N 0.000 0.000 0.000

59

Below is a description of a superconductor material.

The chemical formula is V6GeOs . The Tc_supercon is 7.55. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.77 4.77 4.77 90 90 90 V 0.000 0.500 0.747 V 0.500 0.253 0.000 V 0.747 0.000 0.500 V 0.000 0.500 0.253 V 0.500 0.747 0.000 V 0.253 0.000 0.500 Ge 0.000 0.000 0.000 Os 0.500 0.500 0.500

60

Below is a description of a superconductor material.

The chemical formula is BeNb2Ir . The Tc_supercon is 3.66. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.88 2.88 7.24 90 90 90 Be 0.000 0.000 0.543 Nb 0.000 0.000 0.966 Nb 0.500 0.500 0.289 Ir 0.500 0.500 0.701

61

Below is a description of a superconductor material.

The chemical formula is Al2RuRh . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.24 4.24 4.24 60 60 60 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 Ru 0.750 0.750 0.750 Rh 0.250 0.250 0.250

62

Below is a description of a superconductor material.

The chemical formula is NbO3 . The Tc_supercon is 5.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.84 4.68 3.35 71 65 55 Nb 0.888 0.774 -0.036 O 0.240 0.861 0.243 O 0.515 0.265 0.896 O 0.868 0.548 0.575

63

Below is a description of a superconductor material.

The chemical formula is LiIr . The Tc_supercon is 2.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.67 2.67 4.35 90 90 119 Li 0.333 0.667 0.500 Ir 0.000 0.000 0.000

64

Below is a description of a superconductor material.

The chemical formula is AlVFe2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.03 4.03 4.03 60 60 60 Al 0.000 0.000 0.000 V 0.500 0.500 0.500 Fe 0.250 0.250 0.250 Fe 0.750 0.750 0.750

65

Below is a description of a superconductor material.

The chemical formula is TiZn3 . The Tc_supercon is 1.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.92 3.92 3.92 90 90 90 Ti 0.000 0.000 0.000 Zn 0.000 0.500 0.500 Zn 0.500 0.500 0.000 Zn 0.500 0.000 0.500

66

Below is a description of a superconductor material.

The chemical formula is Sc2AlCd . The Tc_supercon is 1.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.89 4.89 4.89 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.250 0.250 0.250 Cd 0.750 0.750 0.750

67

Below is a description of a superconductor material.

The chemical formula is AlCo3C . The Tc_supercon is 0.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.73 3.73 3.73 90 90 90 Al 0.000 0.000 0.000 Co 0.000 0.500 0.500 Co 0.500 0.000 0.500 Co 0.500 0.500 0.000 C 0.500 0.500 0.500

68

Below is a description of a superconductor material.

The chemical formula is RbRhF3 . The Tc_supercon is 1.86. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.25 4.25 4.25 90 90 90 Rb 0.000 0.000 0.000 Rh 0.500 0.500 0.500 F 0.500 0.500 0.000 F 0.500 0.000 0.500 F 0.000 0.500 0.500

69

Below is a description of a superconductor material.

The chemical formula is Si2Ru . The Tc_supercon is 0.17. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.90 2.90 5.29 90 90 90 Si 0.500 0.500 0.721 Si 0.500 0.500 0.279 Ru 0.000 0.000 0.000

70

Below is a description of a superconductor material.

The chemical formula is TiBeZn2 . The Tc_supercon is 1.4. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.23 4.23 4.23 119 119 90 Ti 0.750 0.250 0.500 Be 0.500 0.500 0.000 Zn 0.000 0.000 0.000 Zn 0.250 0.750 0.500

71

Below is a description of a superconductor material.

The chemical formula is Ti3TlC . The Tc_supercon is 1.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.25 4.25 4.25 90 90 90 Ti 0.000 0.500 0.500 Ti 0.500 0.500 0.000 Ti 0.500 0.000 0.500 Tl 0.000 0.000 0.000 C 0.500 0.500 0.500

72

Below is a description of a superconductor material.

The chemical formula is Li2P . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.36 3.88 4.66 36 77 61 Li 0.637 0.519 0.212 Li 0.275 0.866 0.546 P 0.956 0.192 -0.121

73

Below is a description of a superconductor material.

The chemical formula is Ti3Al . The Tc_supercon is 3.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.73 5.73 4.66 90 90 120 Ti 0.169 0.339 0.750 Ti 0.339 0.169 0.250 Ti 0.831 0.169 0.250 Ti 0.169 0.831 0.750 Ti 0.661 0.831 0.750 Ti 0.831 0.661 0.250 Al 0.667 0.333 0.750 Al 0.333 0.667 0.250

74

Below is a description of a superconductor material.

The chemical formula is BaVO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.96 3.96 3.96 90 90 90 Ba 0.000 0.000 0.000 V 0.500 0.500 0.500 O 0.500 0.000 0.500 O 0.000 0.500 0.500 O 0.500 0.500 0.000

75

Below is a description of a superconductor material.

The chemical formula is VCr . The Tc_supercon is 5.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.90 2.90 2.90 90 90 90 V 0.500 0.500 0.500 Cr 0.000 0.000 0.000

76

Below is a description of a superconductor material.

The chemical formula is BeZn2Ru . The Tc_supercon is 5.61. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.02 3.02 5.67 90 90 90 Be 0.000 0.000 0.544 Zn 0.000 0.000 0.981 Zn 0.500 0.500 0.262 Ru 0.500 0.500 0.713

77

Below is a description of a superconductor material.

The chemical formula is TiBeCo2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.94 3.94 3.94 60 60 60 Ti 0.750 0.750 0.750 Be 0.250 0.250 0.250 Co 0.500 0.500 0.500 Co 0.000 0.000 0.000

78

Below is a description of a superconductor material.

The chemical formula is ZrNbB4 . The Tc_supercon is 0.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.14 3.14 6.92 90 90 120 Zr 0.000 0.000 0.500 Nb 0.000 0.000 0.000 B 0.667 0.333 0.757 B 0.667 0.333 0.243 B 0.333 0.667 0.757 B 0.333 0.667 0.243

79

Below is a description of a superconductor material.

The chemical formula is AgF2 . The Tc_supercon is 0.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.11 3.02 3.92 90 90 90 Ag 0.633 0.000 -0.033 F -0.367 0.000 -0.533 F 0.133 0.000 -0.033

80

Below is a description of a superconductor material.

The chemical formula is V2CrS4 . The Tc_supercon is 1.94. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.17 5.83 6.39 114 104 90 V 0.741 0.685 0.482 V 0.259 0.315 0.518 Cr 0.000 0.000 0.000 S 0.636 0.974 0.273 S 0.364 0.026 0.727 S 0.895 0.563 0.790 S 0.105 0.437 0.210

81

Below is a description of a superconductor material.

The chemical formula is TiAlCu2 . The Tc_supercon is 0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.27 4.27 4.27 60 60 60 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750

82

Below is a description of a superconductor material.

The chemical formula is ZrN . The Tc_supercon is 29.53. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.78 3.78 4.61 90 90 120 Zr 0.333 0.667 0.438 Zr 0.667 0.333 0.938 N 0.333 0.667 0.938 N 0.667 0.333 0.438

83

Below is a description of a superconductor material.

The chemical formula is CaAs . The Tc_supercon is 1.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.23 4.23 5.99 90 90 90 Ca 0.000 0.000 0.250 Ca 0.500 0.500 0.750 As 0.000 0.000 0.750 As 0.500 0.500 0.250

84

Below is a description of a superconductor material.

The chemical formula is Sc2MnSi . The Tc_supercon is 2.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.52 4.52 4.52 60 60 60 Sc 0.250 0.250 0.250 Sc 0.750 0.750 0.750 Mn 0.500 0.500 0.500 Si 0.000 0.000 0.000

85

Below is a description of a superconductor material.

The chemical formula is Cr3Ir . The Tc_supercon is 13.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.64 4.64 4.64 90 90 90 Cr 0.250 0.000 0.500 Cr 0.750 0.000 0.500 Cr 0.000 0.500 0.250 Cr 0.000 0.500 0.750 Cr 0.500 0.750 0.000 Cr 0.500 0.250 0.000 Ir 0.000 0.000 0.000 Ir 0.500 0.500 0.500

86

Below is a description of a superconductor material.

The chemical formula is BaNi2P4 . The Tc_supercon is 0.78. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.50 5.50 5.50 106 106 115 Ba 0.000 0.000 0.000 Ni 0.250 0.750 0.500 Ni 0.750 0.250 0.500 P 0.500 0.743 0.243 P 0.743 0.500 0.243 P 0.257 0.500 0.757 P 0.500 0.257 0.757

87

Below is a description of a superconductor material.

The chemical formula is NaZnO2 . The Tc_supercon is 0.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.11 3.11 4.36 90 90 90 Na 0.000 0.000 0.250 Zn 0.500 0.500 0.750 O 0.000 0.000 0.750 O 0.500 0.500 0.250

88

Below is a description of a superconductor material.

The chemical formula is V3Rh . The Tc_supercon is 3.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.77 4.77 4.77 90 90 90 V 0.500 0.250 0.000 V 0.500 0.750 0.000 V 0.250 0.000 0.500 V 0.750 0.000 0.500 V 0.000 0.500 0.250 V 0.000 0.500 0.750 Rh 0.500 0.500 0.500 Rh 0.000 0.000 0.000

89

Below is a description of a superconductor material.

The chemical formula is Ti2BeCo . The Tc_supercon is 3.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.88 2.88 6.17 90 90 90 Ti 0.000 0.000 0.966 Ti 0.500 0.500 0.273 Be 0.000 0.000 0.546 Co 0.500 0.500 0.715

90

Below is a description of a superconductor material.

The chemical formula is SrNbNO2 . The Tc_supercon is 7.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.08 4.08 4.11 90 90 90 Sr 0.000 0.000 0.000 Nb 0.500 0.500 0.500 N 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500

91

Below is a description of a superconductor material.

The chemical formula is YVO3 . The Tc_supercon is 4.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.81 3.81 3.81 90 90 90 Y 0.000 0.000 0.000 V 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.000 0.500 O 0.500 0.500 0.000

92

Below is a description of a superconductor material.

The chemical formula is LiTiS2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.44 3.44 6.17 90 90 120 Li 0.000 0.000 0.500 Ti 0.000 0.000 0.000 S 0.333 0.667 0.239 S 0.667 0.333 0.761

93

Below is a description of a superconductor material.

The chemical formula is ScBeRh . The Tc_supercon is 5.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.01 4.01 3.22 90 90 119 Sc 0.667 0.333 0.667 Be 0.000 0.000 0.167 Rh 0.333 0.667 0.167

94

Below is a description of a superconductor material.

The chemical formula is TiBeP . The Tc_supercon is 8.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.55 4.79 2.82 90 90 111 Ti 0.084 0.431 0.000 Be -0.227 -0.192 0.000 P 0.386 0.033 0.000

95

Below is a description of a superconductor material.

The chemical formula is ScGe . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.79 4.00 5.44 111 90 90 Sc 0.750 0.135 0.271 Sc 0.250 0.865 0.729 Ge 0.750 0.408 0.816 Ge 0.250 0.592 0.184

96

Below is a description of a superconductor material.

The chemical formula is As2Se . The Tc_supercon is 9.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.78 2.78 8.05 90 90 90 As 0.000 0.000 0.347 As 0.000 0.000 0.653 Se 0.000 0.000 0.000

97

Below is a description of a superconductor material.

The chemical formula is CoO2 . The Tc_supercon is 1.08. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.16 5.16 5.73 56 56 71 Co 0.125 0.125 0.875 Co 0.125 0.125 0.375 Co 0.625 0.625 0.125 Co 0.625 0.625 0.625 O 0.320 0.320 0.430 O 0.430 0.820 0.375 O 0.320 0.320 0.930 O 0.820 0.430 0.375 O 0.430 0.820 0.875 O 0.820 0.430 0.875 O 0.930 0.930 0.320 O 0.930 0.930 0.820

98

Below is a description of a superconductor material.

The chemical formula is B2Mo . The Tc_supercon is 13.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.02 3.02 3.38 90 90 119 B 0.667 0.333 0.500 B 0.333 0.667 0.500 Mo 0.000 0.000 0.000

99