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 MgB2 . The Tc_supercon is 32.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.07 3.07 3.51 90 90 119 Mg 0.000 0.000 0.000 B 0.667 0.333 0.500 B 0.333 0.667 0.500	500
Below is a description of a superconductor material.	The chemical formula is NbCo3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.64 3.64 3.64 90 90 90 Nb 0.000 0.000 0.000 Co 0.500 0.500 0.000 Co 0.500 0.000 0.500 Co 0.000 0.500 0.500	501
Below is a description of a superconductor material.	The chemical formula is HfZn2Ga . The Tc_supercon is 1.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.99 3.99 4.12 90 90 90 Hf 0.500 0.500 0.000 Zn 0.500 0.000 0.500 Zn 0.000 0.500 0.500 Ga 0.000 0.000 0.000	502
Below is a description of a superconductor material.	The chemical formula is MgTaO2 . The Tc_supercon is 7.94. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.95 2.95 5.38 90 90 90 Mg 0.500 0.500 0.496 Ta 0.000 0.000 0.009 O 0.000 0.000 0.398 O 0.500 0.500 0.106	503
Below is a description of a superconductor material.	The chemical formula is TiN . The Tc_supercon is 14.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.01 3.01 3.01 59 59 59 Ti 0.000 0.000 0.000 N 0.500 0.500 0.500	504
Below is a description of a superconductor material.	The chemical formula is Ca2As . The Tc_supercon is 0.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.61 3.84 7.94 90 45 90 Ca -0.033 0.000 -0.033 Ca -0.033 0.000 0.467 As 0.467 0.000 -0.033	505
Below is a description of a superconductor material.	The chemical formula is ScNi4Sn . The Tc_supercon is 1.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.88 4.88 4.88 60 60 60 Sc 0.000 0.000 0.000 Ni 0.625 0.625 0.625 Ni 0.625 0.625 0.125 Ni 0.125 0.625 0.625 Ni 0.625 0.125 0.625 Sn 0.250 0.250 0.250	506
Below is a description of a superconductor material.	The chemical formula is BeCrFe2 . The Tc_supercon is 3.3. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.82 3.82 3.82 59 60 60 Be 0.500 0.500 0.500 Cr 0.000 0.000 0.000 Fe 0.750 0.750 0.750 Fe 0.250 0.250 0.250	507
Below is a description of a superconductor material.	The chemical formula is HfC . The Tc_supercon is 0.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.29 3.29 3.29 60 60 60 Hf 0.000 0.000 0.000 C 0.500 0.500 0.500	508
Below is a description of a superconductor material.	The chemical formula is YBe2Ni . The Tc_supercon is 6.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.94 2.94 6.33 90 90 90 Y 0.500 0.500 0.500 Be 0.000 0.000 0.833 Be 0.000 0.000 0.167 Ni 0.500 0.500 0.000	509
Below is a description of a superconductor material.	The chemical formula is LiN2 . The Tc_supercon is 4.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.80 2.89 3.00 90 86 90 Li 0.467 0.000 0.133 N -0.153 0.000 -0.480 N 0.086 0.000 0.747	510
Below is a description of a superconductor material.	The chemical formula is LaSe . The Tc_supercon is 0.44. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.31 4.31 4.31 60 60 60 La 0.000 0.000 0.000 Se 0.500 0.500 0.500	511
Below is a description of a superconductor material.	The chemical formula is BeCrPd2 . The Tc_supercon is 1.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.72 2.72 6.74 90 90 90 Be 0.000 0.000 0.500 Cr 0.500 0.500 0.721 Pd 0.000 0.000 0.980 Pd 0.500 0.500 0.299	512
Below is a description of a superconductor material.	The chemical formula is Li2BeCd . The Tc_supercon is 3.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.33 4.33 4.33 120 120 89 Li 0.000 0.000 0.000 Li 0.250 0.750 0.500 Be 0.500 0.500 0.000 Cd 0.750 0.250 0.500	513
Below is a description of a superconductor material.	The chemical formula is TiAsSe . The Tc_supercon is 5.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.45 4.45 4.45 60 60 60 Ti 0.000 0.000 0.000 As 0.500 0.500 0.500 Se 0.250 0.250 0.250	514
Below is a description of a superconductor material.	The chemical formula is LiBeNi2 . The Tc_supercon is 0.17. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.62 2.62 6.11 90 90 90 Li 0.500 0.500 0.744 Be 0.000 0.000 0.463 Ni 0.000 0.000 0.012 Ni 0.500 0.500 0.282	515
Below is a description of a superconductor material.	The chemical formula is NbPbO3 . The Tc_supercon is 3.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.10 4.10 4.11 90 90 90 Nb 0.500 0.500 0.632 Pb 0.000 0.000 0.130 O 0.000 0.500 0.633 O 0.500 0.000 0.633 O 0.500 0.500 0.132	516
Below is a description of a superconductor material.	The chemical formula is AlVO3 . The Tc_supercon is 3.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.78 3.78 3.79 90 90 90 Al 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	517
Below is a description of a superconductor material.	The chemical formula is Ti2CuTc . The Tc_supercon is 2.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.36 4.36 4.36 60 60 60 Ti 0.500 0.500 0.500 Ti 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Tc 0.750 0.750 0.750	518
Below is a description of a superconductor material.	The chemical formula is MgBO2 . The Tc_supercon is 1.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.93 2.93 4.17 90 90 90 Mg 0.500 0.500 0.479 B 0.000 0.000 0.930 O 0.000 0.000 0.598 O 0.500 0.500 0.003	519
Below is a description of a superconductor material.	The chemical formula is TiN . The Tc_supercon is 1.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.25 3.25 3.25 60 60 60 Ti 0.000 0.000 0.000 N 0.750 0.750 0.750	520
Below is a description of a superconductor material.	The chemical formula is V . The Tc_supercon is 18.26. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.59 2.59 2.59 109 109 109 V 0.000 0.000 0.000	521
Below is a description of a superconductor material.	The chemical formula is MnB2 . The Tc_supercon is 7.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.98 2.98 2.96 90 90 120 Mn 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500	522
Below is a description of a superconductor material.	The chemical formula is ScBeTl . The Tc_supercon is 2.21. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.31 4.31 3.43 90 90 120 Sc 0.333 0.667 0.667 Be 0.000 0.000 0.167 Tl 0.667 0.333 0.167	523
Below is a description of a superconductor material.	The chemical formula is GaNF2 . The Tc_supercon is 5.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.22 3.22 3.90 90 90 90 Ga 0.500 0.500 0.757 N 0.000 0.000 0.804 F 0.000 0.000 0.178 F 0.500 0.500 0.271	524
Below is a description of a superconductor material.	The chemical formula is Cr3N4 . The Tc_supercon is 9.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.69 5.69 5.69 60 60 60 Cr 0.625 0.125 0.125 Cr 0.375 0.875 0.875 Cr 0.000 -0.000 0.500 Cr 0.000 0.500 -0.000 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.500 N 0.753 0.741 0.253 N 0.753 0.253 0.741 N 0.753 0.253 0.253 N 0.241 0.253 0.253 N 0.247 0.259 0.747 N 0.247 0.747 0.259 N 0.247 0.747 0.747 N 0.759 0.747 0.747	525
Below is a description of a superconductor material.	The chemical formula is NaSi . The Tc_supercon is 1.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.03 5.82 3.81 90 50 108 Na 0.144 0.183 -0.096 Na 0.845 0.587 0.703 Si 0.557 0.013 -0.010 Si 0.432 0.758 0.616	526
Below is a description of a superconductor material.	The chemical formula is TaB . The Tc_supercon is 0.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.16 3.30 4.67 110 90 90 Ta 0.750 0.146 0.292 Ta 0.250 0.854 0.708 B 0.750 0.441 0.882 B 0.250 0.559 0.118	527
Below is a description of a superconductor material.	The chemical formula is MgAs . The Tc_supercon is 2.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.90 3.90 5.52 90 90 90 Mg 0.000 0.000 0.250 Mg 0.500 0.500 0.750 As 0.000 0.000 0.750 As 0.500 0.500 0.250	528
Below is a description of a superconductor material.	The chemical formula is Ti2NiMo . The Tc_supercon is 0.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.35 4.35 4.35 60 60 60 Ti 0.000 0.000 0.000 Ti 0.500 0.500 0.500 Ni 0.750 0.750 0.750 Mo 0.250 0.250 0.250	529
Below is a description of a superconductor material.	The chemical formula is V3Sb . The Tc_supercon is 7.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.93 4.93 4.93 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 Sb 0.500 0.500 0.500 Sb 0.000 0.000 0.000	530
Below is a description of a superconductor material.	The chemical formula is TaZnOs2 . The Tc_supercon is 0.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.42 4.42 4.42 60 60 60 Ta 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500	531
Below is a description of a superconductor material.	The chemical formula is BeCu . The Tc_supercon is 0.38. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.70 2.70 2.70 90 90 90 Be 0.000 0.000 0.000 Cu 0.500 0.500 0.500	532
Below is a description of a superconductor material.	The chemical formula is TiSi2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.82 4.82 4.93 104 104 119 Ti 0.875 0.125 0.250 Ti 0.125 0.875 0.750 Si 0.539 0.461 0.250 Si 0.211 0.789 0.250 Si 0.789 0.211 0.750 Si 0.461 0.539 0.750	533
Below is a description of a superconductor material.	The chemical formula is NaScS . The Tc_supercon is 5.07. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.74 4.74 3.56 90 90 120 Na 0.000 0.000 0.000 Sc 0.667 0.333 0.000 S 0.333 0.667 0.000	534
Below is a description of a superconductor material.	The chemical formula is Be2CuRh . The Tc_supercon is 0.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.81 2.81 5.30 90 90 90 Be 0.000 0.000 0.737 Be 0.000 0.000 0.263 Cu 0.500 0.500 0.000 Rh 0.500 0.500 0.500	535
Below is a description of a superconductor material.	The chemical formula is BeIrOs2 . The Tc_supercon is 4.9. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.78 2.78 6.63 90 90 90 Be 0.000 0.000 0.506 Ir 0.500 0.500 0.710 Os 0.000 0.000 0.005 Os 0.500 0.500 0.279	536
Below is a description of a superconductor material.	The chemical formula is LiBeOs2 . The Tc_supercon is 1.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.12 4.12 4.12 119 119 90 Li 0.750 0.250 0.500 Be 0.500 0.500 0.000 Os 0.000 0.000 0.000 Os 0.250 0.750 0.500	537
Below is a description of a superconductor material.	The chemical formula is TiS . The Tc_supercon is 8.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.34 3.34 6.39 90 90 119 Ti 0.333 0.667 0.250 Ti 0.667 0.333 0.750 S 0.000 0.000 0.000 S 0.000 0.000 0.500	538
Below is a description of a superconductor material.	The chemical formula is LiZrSe2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.74 3.74 6.65 90 90 120 Li 0.000 0.000 0.500 Zr 0.000 0.000 0.000 Se 0.667 0.333 0.254 Se 0.333 0.667 0.746	539
Below is a description of a superconductor material.	The chemical formula is NbC . The Tc_supercon is 17.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.19 3.19 3.19 59 60 60 Nb 0.000 0.000 0.000 C 0.500 0.500 0.500	540
Below is a description of a superconductor material.	The chemical formula is Al3V . The Tc_supercon is 13.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.91 3.91 3.91 90 90 90 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Al 0.000 0.500 0.500 V 0.000 0.000 0.000	541
Below is a description of a superconductor material.	The chemical formula is Sc2AgRu . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.66 4.66 4.66 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ag 0.250 0.250 0.250 Ru 0.750 0.750 0.750	542
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 0.125 0.125 0.125 Sc 0.875 0.875 0.875 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Al -0.000 0.500 0.500 Al 0.500 0.500 0.500	543
Below is a description of a superconductor material.	The chemical formula is LiAg2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.81 2.73 4.81 90 119 90 Li 0.083 0.000 0.411 Ag -0.250 0.000 -0.256 Ag 0.417 0.000 0.078	544
Below is a description of a superconductor material.	The chemical formula is BeNbCo4 . The Tc_supercon is 6.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.62 4.62 4.62 60 60 60 Be 0.000 0.000 0.000 Nb 0.250 0.250 0.250 Co 0.121 0.626 0.626 Co 0.626 0.626 0.626 Co 0.626 0.121 0.626 Co 0.626 0.626 0.121	545
Below is a description of a superconductor material.	The chemical formula is VFe . The Tc_supercon is 3.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.86 2.86 2.86 90 90 90 V 0.500 0.500 0.500 Fe 0.000 0.000 0.000	546
Below is a description of a superconductor material.	The chemical formula is ScPt3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.01 4.01 4.01 90 90 90 Sc 0.000 0.000 0.000 Pt 0.500 0.500 0.000 Pt 0.500 0.000 0.500 Pt 0.000 0.500 0.500	547
Below is a description of a superconductor material.	The chemical formula is Sc2BeRh . The Tc_supercon is 7.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.09 3.09 7.05 90 90 90 Sc 0.000 0.000 0.949 Sc 0.500 0.500 0.304 Be 0.000 0.000 0.557 Rh 0.500 0.500 0.690	548
Below is a description of a superconductor material.	The chemical formula is TaIr3 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.93 3.93 3.93 90 90 90 Ta 0.000 0.000 0.000 Ir 0.500 0.500 0.000 Ir 0.500 0.000 0.500 Ir 0.000 0.500 0.500	549
Below is a description of a superconductor material.	The chemical formula is B2CN . The Tc_supercon is 19.41. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.51 2.55 7.90 90 90 90 B 0.250 0.000 0.688 B 0.750 0.000 0.312 B 0.250 0.500 0.085 B 0.750 0.500 0.915 C 0.250 0.500 0.552 C 0.750 0.500 0.448 N 0.250 0.000 0.195 N 0.750 0.000 0.805	550
Below is a description of a superconductor material.	The chemical formula is SnGeO . The Tc_supercon is 4.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.09 3.09 7.13 90 90 90 Sn 0.000 0.000 0.720 Ge 0.000 0.000 0.249 O 0.000 0.000 0.003	551
Below is a description of a superconductor material.	The chemical formula is Sc2GaCu . The Tc_supercon is 0.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.66 4.66 4.66 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ga 0.750 0.750 0.750 Cu 0.250 0.250 0.250	552
Below is a description of a superconductor material.	The chemical formula is NbRu3 . The Tc_supercon is 9.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.90 3.90 3.90 90 90 90 Nb 0.000 0.000 0.000 Ru 0.000 0.500 0.500 Ru 0.500 0.500 0.000 Ru 0.500 0.000 0.500	553
Below is a description of a superconductor material.	The chemical formula is ZrB6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 4.05 4.05 90 90 90 Zr 0.000 0.000 0.000 B 0.197 0.500 0.500 B 0.500 0.500 0.803 B 0.500 0.500 0.197 B 0.500 0.197 0.500 B 0.500 0.803 0.500 B 0.803 0.500 0.500	554
Below is a description of a superconductor material.	The chemical formula is YGe . The Tc_supercon is 0.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.98 4.27 5.78 111 90 90 Y 0.250 0.862 0.725 Y 0.750 0.138 0.275 Ge 0.250 0.587 0.174 Ge 0.750 0.413 0.826	555
Below is a description of a superconductor material.	The chemical formula is Be2IrRh . The Tc_supercon is 4.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	9.57 6.78 5.58 22 29 19 Be 0.750 0.001 0.998 Be 0.250 0.999 0.002 Ir 0.500 -0.000 -0.000 Rh 0.000 0.000 0.000	556
Below is a description of a superconductor material.	The chemical formula is NbAlNi2 . The Tc_supercon is 6.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.24 4.24 4.24 60 60 60 Nb 0.500 0.500 0.500 Al 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750	557
Below is a description of a superconductor material.	The chemical formula is MgInO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.09 4.09 4.09 90 90 90 Mg 0.000 0.000 0.000 In 0.500 0.500 0.500 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500	558
Below is a description of a superconductor material.	The chemical formula is Al2CoOs . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.18 4.18 4.18 60 60 60 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 Co 0.250 0.250 0.250 Os 0.750 0.750 0.750	559
Below is a description of a superconductor material.	The chemical formula is AsPd2Rh . The Tc_supercon is 4.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.42 4.42 4.42 60 60 60 As 0.500 0.500 0.500 Pd 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Rh 0.750 0.750 0.750	560
Below is a description of a superconductor material.	The chemical formula is TiAl . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.82 2.82 4.09 90 90 90 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000	561
Below is a description of a superconductor material.	The chemical formula is ScBeGe . The Tc_supercon is 0.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.81 3.81 3.74 90 90 119 Sc 0.333 0.667 0.667 Be 0.000 0.000 0.167 Ge 0.667 0.333 0.167	562
Below is a description of a superconductor material.	The chemical formula is Be2GaOs . The Tc_supercon is 4.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.03 3.03 5.13 90 90 90 Be 0.000 0.000 0.710 Be 0.000 0.000 0.290 Ga 0.500 0.500 0.000 Os 0.500 0.500 0.500	563
Below is a description of a superconductor material.	The chemical formula is CrRh3 . The Tc_supercon is 4.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.78 3.78 3.78 90 90 90 Cr 0.000 0.000 0.000 Rh 0.000 0.500 0.500 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500	564
Below is a description of a superconductor material.	The chemical formula is AlOs . The Tc_supercon is 3.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.03 3.03 3.03 90 90 90 Al 0.000 0.000 0.000 Os 0.500 0.500 0.500	565
Below is a description of a superconductor material.	The chemical formula is TaRu . The Tc_supercon is 2.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.17 3.17 3.17 90 90 90 Ta 0.500 0.500 0.500 Ru 0.000 0.000 0.000	566
Below is a description of a superconductor material.	The chemical formula is ScInNi2 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.43 4.43 4.43 60 60 60 Sc 0.500 0.500 0.500 In 0.000 0.000 0.000 Ni 0.750 0.750 0.750 Ni 0.250 0.250 0.250	567
Below is a description of a superconductor material.	The chemical formula is LiC . The Tc_supercon is 21.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.22 4.93 3.35 70 113 148 Li 0.375 0.460 -0.077 Li 0.271 -0.040 0.623 C -0.017 0.460 0.227 C 0.663 -0.041 0.319	568
Below is a description of a superconductor material.	The chemical formula is NbO . The Tc_supercon is 3.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.26 4.26 4.26 90 90 90 Nb 0.500 0.000 0.500 Nb 0.500 0.500 0.000 Nb 0.000 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	569
Below is a description of a superconductor material.	The chemical formula is Na3O . The Tc_supercon is 0.12. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.59 4.59 4.62 89 90 89 Na 0.142 0.013 0.974 Na 0.142 0.513 0.474 Na 0.642 0.014 0.474 O 0.142 0.013 0.474	570
Below is a description of a superconductor material.	The chemical formula is HfCl2 . The Tc_supercon is 1.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.74 4.74 3.19 90 90 120 Hf 0.000 0.000 0.000 Cl 0.333 0.667 0.000 Cl 0.667 0.333 0.000	571
Below is a description of a superconductor material.	The chemical formula is VC . The Tc_supercon is 28.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.95 2.95 2.95 60 60 60 V 0.000 0.000 0.000 C 0.500 0.500 0.500	572
Below is a description of a superconductor material.	The chemical formula is CuSnRh2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.40 4.40 4.40 60 59 60 Cu 0.000 0.000 0.000 Sn 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750	573
Below is a description of a superconductor material.	The chemical formula is Be2Nb . The Tc_supercon is 3.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.63 4.63 4.63 60 60 60 Be 0.500 0.500 0.500 Be 0.500 0.500 -0.000 Be -0.000 0.500 0.500 Be 0.500 0.000 0.500 Nb 0.875 0.875 0.875 Nb 0.125 0.125 0.125	574
Below is a description of a superconductor material.	The chemical formula is BeGeIr2 . The Tc_supercon is 4.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.03 3.03 5.83 90 90 90 Be 0.000 0.000 0.468 Ge 0.500 0.500 0.743 Ir 0.000 0.000 0.968 Ir 0.500 0.500 0.322	575
Below is a description of a superconductor material.	The chemical formula is VSi2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.60 4.60 6.40 90 90 119 V 0.500 0.500 0.667 V -0.000 0.500 0.333 V 0.500 -0.000 0.000 Si 0.163 0.326 0.000 Si 0.326 0.163 0.333 Si 0.837 0.163 0.667 Si 0.837 0.674 0.000 Si 0.674 0.837 0.333 Si 0.163 0.837 0.667	576
Below is a description of a superconductor material.	The chemical formula is NaBePd2 . The Tc_supercon is 0.14. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.09 3.09 6.77 90 90 90 Na 0.500 0.500 0.748 Be 0.000 0.000 0.397 Pd 0.000 0.000 0.044 Pd 0.500 0.500 0.311	577
Below is a description of a superconductor material.	The chemical formula is Sc2AlZn . The Tc_supercon is 1.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.76 4.76 4.76 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.250 0.250 0.250 Zn 0.750 0.750 0.750	578
Below is a description of a superconductor material.	The chemical formula is ZrTe . The Tc_supercon is 0.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.77 3.77 7.91 90 90 120 Zr 0.000 0.000 0.000 Zr 0.000 0.000 0.500 Te 0.333 0.667 0.250 Te 0.667 0.333 0.750	579
Below is a description of a superconductor material.	The chemical formula is HfTaRu2 . The Tc_supercon is 5.48. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.53 4.53 4.53 60 60 60 Hf 0.500 0.500 0.500 Ta 0.000 0.000 0.000 Ru 0.250 0.250 0.250 Ru 0.750 0.750 0.750	580
Below is a description of a superconductor material.	The chemical formula is Sc2Al . The Tc_supercon is 3.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.88 4.88 6.14 90 90 120 Sc 0.000 0.000 0.000 Sc 0.000 0.000 0.500 Sc 0.333 0.667 0.750 Sc 0.667 0.333 0.250 Al 0.333 0.667 0.250 Al 0.667 0.333 0.750	581
Below is a description of a superconductor material.	The chemical formula is V3Sn . The Tc_supercon is 7.47. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.96 4.96 4.96 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 Sn 0.500 0.500 0.500 Sn 0.000 0.000 0.000	582
Below is a description of a superconductor material.	The chemical formula is MgTe2 . The Tc_supercon is 3.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.17 3.13 7.61 90 74 90 Mg 0.467 0.000 0.133 Te 0.100 0.000 -0.140 Te -0.167 0.000 0.407	583
Below is a description of a superconductor material.	The chemical formula is TiAl . The Tc_supercon is 1.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.82 2.82 4.09 90 90 90 Ti 0.000 0.000 0.000 Al 0.500 0.500 0.500	584
Below is a description of a superconductor material.	The chemical formula is NaS2 . The Tc_supercon is 0.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.56 3.26 5.15 90 90 90 Na 0.467 0.000 0.133 S -0.033 0.000 -0.174 S -0.033 0.000 0.440	585
Below is a description of a superconductor material.	The chemical formula is HfBeSi . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.71 3.71 7.15 90 90 120 Hf 0.000 0.000 0.000 Hf 0.000 0.000 0.500 Be 0.333 0.667 0.750 Be 0.667 0.333 0.250 Si 0.333 0.667 0.250 Si 0.667 0.333 0.750	586
Below is a description of a superconductor material.	The chemical formula is SiClF . The Tc_supercon is 0.21. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.29 4.29 2.79 90 90 120 Si 0.667 0.333 0.000 Cl 0.000 0.000 0.000 F 0.333 0.667 0.000	587
Below is a description of a superconductor material.	The chemical formula is VP . The Tc_supercon is 5.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.34 3.34 5.88 90 90 120 V 0.333 0.667 0.250 V 0.667 0.333 0.750 P 0.000 0.000 0.000 P 0.000 0.000 0.500	588
Below is a description of a superconductor material.	The chemical formula is VGeO2 . The Tc_supercon is 6.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.77 2.77 6.64 90 90 90 V 0.500 0.500 0.577 Ge 0.000 0.000 0.122 O 0.000 0.000 0.486 O 0.500 0.500 0.826	589
Below is a description of a superconductor material.	The chemical formula is ZrSc . The Tc_supercon is 10.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.25 3.25 5.13 90 90 119 Zr 0.000 0.000 0.000 Sc 0.333 0.667 0.500	590
Below is a description of a superconductor material.	The chemical formula is TiAl . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.82 2.82 4.09 90 90 90 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000	591
Below is a description of a superconductor material.	The chemical formula is LiI2 . The Tc_supercon is 2.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.73 5.73 4.46 90 90 120 Li 0.000 0.000 0.000 I 0.333 0.667 0.000 I 0.667 0.333 0.000	592
Below is a description of a superconductor material.	The chemical formula is Nb3Os . The Tc_supercon is 4.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.18 5.18 5.18 90 90 90 Nb 0.250 0.000 0.500 Nb 0.750 0.000 0.500 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 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500	593
Below is a description of a superconductor material.	The chemical formula is ScSi . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.68 4.00 5.35 111 90 90 Sc 0.250 0.861 0.722 Sc 0.750 0.139 0.278 Si 0.250 0.582 0.165 Si 0.750 0.418 0.835	594
Below is a description of a superconductor material.	The chemical formula is BRh . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.38 3.38 4.17 90 90 119 B 0.000 0.000 0.000 B 0.000 0.000 0.500 Rh 0.333 0.667 0.250 Rh 0.667 0.333 0.750	595
Below is a description of a superconductor material.	The chemical formula is Ta2CrRu . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.43 4.43 4.43 60 60 60 Ta 0.000 0.000 0.000 Ta 0.500 0.500 0.500 Cr 0.250 0.250 0.250 Ru 0.750 0.750 0.750	596
Below is a description of a superconductor material.	The chemical formula is BaMgO . The Tc_supercon is 1.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 7.75 4.11 90 90 121 Ba 0.205 -0.160 0.000 Mg 0.195 0.331 0.000 O -0.090 0.047 0.000	597
Below is a description of a superconductor material.	The chemical formula is Zr3AlN4 . The Tc_supercon is 4.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.21 3.21 8.95 90 90 90 Zr 0.500 0.500 0.752 Zr 0.000 0.000 0.500 Zr 0.500 0.500 0.248 Al 0.000 0.000 0.000 N 0.000 0.000 0.226 N 0.500 0.500 0.000 N 0.000 0.000 0.774 N 0.500 0.500 0.500	598
Below is a description of a superconductor material.	The chemical formula is TiSe . The Tc_supercon is 5.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.46 3.46 6.89 90 90 120 Ti 0.667 0.333 0.750 Ti 0.333 0.667 0.250 Se 0.000 0.000 0.500 Se 0.000 0.000 0.000	599

Below is a description of a superconductor material.

The chemical formula is MgB2 . The Tc_supercon is 32.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.07 3.07 3.51 90 90 119 Mg 0.000 0.000 0.000 B 0.667 0.333 0.500 B 0.333 0.667 0.500

500

Below is a description of a superconductor material.

The chemical formula is NbCo3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.64 3.64 3.64 90 90 90 Nb 0.000 0.000 0.000 Co 0.500 0.500 0.000 Co 0.500 0.000 0.500 Co 0.000 0.500 0.500

501

Below is a description of a superconductor material.

The chemical formula is HfZn2Ga . The Tc_supercon is 1.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.99 3.99 4.12 90 90 90 Hf 0.500 0.500 0.000 Zn 0.500 0.000 0.500 Zn 0.000 0.500 0.500 Ga 0.000 0.000 0.000

502

Below is a description of a superconductor material.

The chemical formula is MgTaO2 . The Tc_supercon is 7.94. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.95 2.95 5.38 90 90 90 Mg 0.500 0.500 0.496 Ta 0.000 0.000 0.009 O 0.000 0.000 0.398 O 0.500 0.500 0.106

503

Below is a description of a superconductor material.

The chemical formula is TiN . The Tc_supercon is 14.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.01 3.01 3.01 59 59 59 Ti 0.000 0.000 0.000 N 0.500 0.500 0.500

504

Below is a description of a superconductor material.

The chemical formula is Ca2As . The Tc_supercon is 0.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.61 3.84 7.94 90 45 90 Ca -0.033 0.000 -0.033 Ca -0.033 0.000 0.467 As 0.467 0.000 -0.033

505

Below is a description of a superconductor material.

The chemical formula is ScNi4Sn . The Tc_supercon is 1.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.88 4.88 4.88 60 60 60 Sc 0.000 0.000 0.000 Ni 0.625 0.625 0.625 Ni 0.625 0.625 0.125 Ni 0.125 0.625 0.625 Ni 0.625 0.125 0.625 Sn 0.250 0.250 0.250

506

Below is a description of a superconductor material.

The chemical formula is BeCrFe2 . The Tc_supercon is 3.3. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.82 3.82 3.82 59 60 60 Be 0.500 0.500 0.500 Cr 0.000 0.000 0.000 Fe 0.750 0.750 0.750 Fe 0.250 0.250 0.250

507

Below is a description of a superconductor material.

The chemical formula is HfC . The Tc_supercon is 0.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.29 3.29 3.29 60 60 60 Hf 0.000 0.000 0.000 C 0.500 0.500 0.500

508

Below is a description of a superconductor material.

The chemical formula is YBe2Ni . The Tc_supercon is 6.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.94 2.94 6.33 90 90 90 Y 0.500 0.500 0.500 Be 0.000 0.000 0.833 Be 0.000 0.000 0.167 Ni 0.500 0.500 0.000

509

Below is a description of a superconductor material.

The chemical formula is LiN2 . The Tc_supercon is 4.85. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.80 2.89 3.00 90 86 90 Li 0.467 0.000 0.133 N -0.153 0.000 -0.480 N 0.086 0.000 0.747

510

Below is a description of a superconductor material.

The chemical formula is LaSe . The Tc_supercon is 0.44. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.31 4.31 4.31 60 60 60 La 0.000 0.000 0.000 Se 0.500 0.500 0.500

511

Below is a description of a superconductor material.

The chemical formula is BeCrPd2 . The Tc_supercon is 1.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.72 2.72 6.74 90 90 90 Be 0.000 0.000 0.500 Cr 0.500 0.500 0.721 Pd 0.000 0.000 0.980 Pd 0.500 0.500 0.299

512

Below is a description of a superconductor material.

The chemical formula is Li2BeCd . The Tc_supercon is 3.73. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.33 4.33 4.33 120 120 89 Li 0.000 0.000 0.000 Li 0.250 0.750 0.500 Be 0.500 0.500 0.000 Cd 0.750 0.250 0.500

513

Below is a description of a superconductor material.

The chemical formula is TiAsSe . The Tc_supercon is 5.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.45 4.45 4.45 60 60 60 Ti 0.000 0.000 0.000 As 0.500 0.500 0.500 Se 0.250 0.250 0.250

514

Below is a description of a superconductor material.

The chemical formula is LiBeNi2 . The Tc_supercon is 0.17. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.62 2.62 6.11 90 90 90 Li 0.500 0.500 0.744 Be 0.000 0.000 0.463 Ni 0.000 0.000 0.012 Ni 0.500 0.500 0.282

515

Below is a description of a superconductor material.

The chemical formula is NbPbO3 . The Tc_supercon is 3.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.10 4.10 4.11 90 90 90 Nb 0.500 0.500 0.632 Pb 0.000 0.000 0.130 O 0.000 0.500 0.633 O 0.500 0.000 0.633 O 0.500 0.500 0.132

516

Below is a description of a superconductor material.

The chemical formula is AlVO3 . The Tc_supercon is 3.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.78 3.78 3.79 90 90 90 Al 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

517

Below is a description of a superconductor material.

The chemical formula is Ti2CuTc . The Tc_supercon is 2.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.36 4.36 4.36 60 60 60 Ti 0.500 0.500 0.500 Ti 0.000 0.000 0.000 Cu 0.250 0.250 0.250 Tc 0.750 0.750 0.750

518

Below is a description of a superconductor material.

The chemical formula is MgBO2 . The Tc_supercon is 1.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.93 2.93 4.17 90 90 90 Mg 0.500 0.500 0.479 B 0.000 0.000 0.930 O 0.000 0.000 0.598 O 0.500 0.500 0.003

519

Below is a description of a superconductor material.

The chemical formula is TiN . The Tc_supercon is 1.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.25 3.25 3.25 60 60 60 Ti 0.000 0.000 0.000 N 0.750 0.750 0.750

520

Below is a description of a superconductor material.

The chemical formula is V . The Tc_supercon is 18.26. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.59 2.59 2.59 109 109 109 V 0.000 0.000 0.000

521

Below is a description of a superconductor material.

The chemical formula is MnB2 . The Tc_supercon is 7.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.98 2.98 2.96 90 90 120 Mn 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500

522

Below is a description of a superconductor material.

The chemical formula is ScBeTl . The Tc_supercon is 2.21. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.31 4.31 3.43 90 90 120 Sc 0.333 0.667 0.667 Be 0.000 0.000 0.167 Tl 0.667 0.333 0.167

523

Below is a description of a superconductor material.

The chemical formula is GaNF2 . The Tc_supercon is 5.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.22 3.22 3.90 90 90 90 Ga 0.500 0.500 0.757 N 0.000 0.000 0.804 F 0.000 0.000 0.178 F 0.500 0.500 0.271

524

Below is a description of a superconductor material.

The chemical formula is Cr3N4 . The Tc_supercon is 9.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.69 5.69 5.69 60 60 60 Cr 0.625 0.125 0.125 Cr 0.375 0.875 0.875 Cr 0.000 -0.000 0.500 Cr 0.000 0.500 -0.000 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.500 N 0.753 0.741 0.253 N 0.753 0.253 0.741 N 0.753 0.253 0.253 N 0.241 0.253 0.253 N 0.247 0.259 0.747 N 0.247 0.747 0.259 N 0.247 0.747 0.747 N 0.759 0.747 0.747

525

Below is a description of a superconductor material.

The chemical formula is NaSi . The Tc_supercon is 1.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

6.03 5.82 3.81 90 50 108 Na 0.144 0.183 -0.096 Na 0.845 0.587 0.703 Si 0.557 0.013 -0.010 Si 0.432 0.758 0.616

526

Below is a description of a superconductor material.

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

3.16 3.30 4.67 110 90 90 Ta 0.750 0.146 0.292 Ta 0.250 0.854 0.708 B 0.750 0.441 0.882 B 0.250 0.559 0.118

527

Below is a description of a superconductor material.

The chemical formula is MgAs . The Tc_supercon is 2.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.90 3.90 5.52 90 90 90 Mg 0.000 0.000 0.250 Mg 0.500 0.500 0.750 As 0.000 0.000 0.750 As 0.500 0.500 0.250

528

Below is a description of a superconductor material.

The chemical formula is Ti2NiMo . The Tc_supercon is 0.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.35 4.35 4.35 60 60 60 Ti 0.000 0.000 0.000 Ti 0.500 0.500 0.500 Ni 0.750 0.750 0.750 Mo 0.250 0.250 0.250

529

Below is a description of a superconductor material.

The chemical formula is V3Sb . The Tc_supercon is 7.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.93 4.93 4.93 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 Sb 0.500 0.500 0.500 Sb 0.000 0.000 0.000

530

Below is a description of a superconductor material.

The chemical formula is TaZnOs2 . The Tc_supercon is 0.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.42 4.42 4.42 60 60 60 Ta 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500

531

Below is a description of a superconductor material.

The chemical formula is BeCu . The Tc_supercon is 0.38. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.70 2.70 2.70 90 90 90 Be 0.000 0.000 0.000 Cu 0.500 0.500 0.500

532

Below is a description of a superconductor material.

The chemical formula is TiSi2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.82 4.82 4.93 104 104 119 Ti 0.875 0.125 0.250 Ti 0.125 0.875 0.750 Si 0.539 0.461 0.250 Si 0.211 0.789 0.250 Si 0.789 0.211 0.750 Si 0.461 0.539 0.750

533

Below is a description of a superconductor material.

The chemical formula is NaScS . The Tc_supercon is 5.07. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.74 4.74 3.56 90 90 120 Na 0.000 0.000 0.000 Sc 0.667 0.333 0.000 S 0.333 0.667 0.000

534

Below is a description of a superconductor material.

The chemical formula is Be2CuRh . The Tc_supercon is 0.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.81 2.81 5.30 90 90 90 Be 0.000 0.000 0.737 Be 0.000 0.000 0.263 Cu 0.500 0.500 0.000 Rh 0.500 0.500 0.500

535

Below is a description of a superconductor material.

The chemical formula is BeIrOs2 . The Tc_supercon is 4.9. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.78 2.78 6.63 90 90 90 Be 0.000 0.000 0.506 Ir 0.500 0.500 0.710 Os 0.000 0.000 0.005 Os 0.500 0.500 0.279

536

Below is a description of a superconductor material.

The chemical formula is LiBeOs2 . The Tc_supercon is 1.72. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.12 4.12 4.12 119 119 90 Li 0.750 0.250 0.500 Be 0.500 0.500 0.000 Os 0.000 0.000 0.000 Os 0.250 0.750 0.500

537

Below is a description of a superconductor material.

The chemical formula is TiS . The Tc_supercon is 8.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.34 3.34 6.39 90 90 119 Ti 0.333 0.667 0.250 Ti 0.667 0.333 0.750 S 0.000 0.000 0.000 S 0.000 0.000 0.500

538

Below is a description of a superconductor material.

The chemical formula is LiZrSe2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.74 3.74 6.65 90 90 120 Li 0.000 0.000 0.500 Zr 0.000 0.000 0.000 Se 0.667 0.333 0.254 Se 0.333 0.667 0.746

539

Below is a description of a superconductor material.

The chemical formula is NbC . The Tc_supercon is 17.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.19 3.19 3.19 59 60 60 Nb 0.000 0.000 0.000 C 0.500 0.500 0.500

540

Below is a description of a superconductor material.

The chemical formula is Al3V . The Tc_supercon is 13.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.91 3.91 3.91 90 90 90 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Al 0.000 0.500 0.500 V 0.000 0.000 0.000

541

Below is a description of a superconductor material.

The chemical formula is Sc2AgRu . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.66 4.66 4.66 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ag 0.250 0.250 0.250 Ru 0.750 0.750 0.750

542

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 0.125 0.125 0.125 Sc 0.875 0.875 0.875 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Al -0.000 0.500 0.500 Al 0.500 0.500 0.500

543

Below is a description of a superconductor material.

The chemical formula is LiAg2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.81 2.73 4.81 90 119 90 Li 0.083 0.000 0.411 Ag -0.250 0.000 -0.256 Ag 0.417 0.000 0.078

544

Below is a description of a superconductor material.

The chemical formula is BeNbCo4 . The Tc_supercon is 6.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.62 4.62 4.62 60 60 60 Be 0.000 0.000 0.000 Nb 0.250 0.250 0.250 Co 0.121 0.626 0.626 Co 0.626 0.626 0.626 Co 0.626 0.121 0.626 Co 0.626 0.626 0.121

545

Below is a description of a superconductor material.

The chemical formula is VFe . The Tc_supercon is 3.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.86 2.86 2.86 90 90 90 V 0.500 0.500 0.500 Fe 0.000 0.000 0.000

546

Below is a description of a superconductor material.

The chemical formula is ScPt3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.01 4.01 4.01 90 90 90 Sc 0.000 0.000 0.000 Pt 0.500 0.500 0.000 Pt 0.500 0.000 0.500 Pt 0.000 0.500 0.500

547

Below is a description of a superconductor material.

The chemical formula is Sc2BeRh . The Tc_supercon is 7.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.09 3.09 7.05 90 90 90 Sc 0.000 0.000 0.949 Sc 0.500 0.500 0.304 Be 0.000 0.000 0.557 Rh 0.500 0.500 0.690

548

Below is a description of a superconductor material.

The chemical formula is TaIr3 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.93 3.93 3.93 90 90 90 Ta 0.000 0.000 0.000 Ir 0.500 0.500 0.000 Ir 0.500 0.000 0.500 Ir 0.000 0.500 0.500

549

Below is a description of a superconductor material.

The chemical formula is B2CN . The Tc_supercon is 19.41. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.51 2.55 7.90 90 90 90 B 0.250 0.000 0.688 B 0.750 0.000 0.312 B 0.250 0.500 0.085 B 0.750 0.500 0.915 C 0.250 0.500 0.552 C 0.750 0.500 0.448 N 0.250 0.000 0.195 N 0.750 0.000 0.805

550

Below is a description of a superconductor material.

The chemical formula is SnGeO . The Tc_supercon is 4.45. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.09 3.09 7.13 90 90 90 Sn 0.000 0.000 0.720 Ge 0.000 0.000 0.249 O 0.000 0.000 0.003

551

Below is a description of a superconductor material.

The chemical formula is Sc2GaCu . The Tc_supercon is 0.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.66 4.66 4.66 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Ga 0.750 0.750 0.750 Cu 0.250 0.250 0.250

552

Below is a description of a superconductor material.

The chemical formula is NbRu3 . The Tc_supercon is 9.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.90 3.90 3.90 90 90 90 Nb 0.000 0.000 0.000 Ru 0.000 0.500 0.500 Ru 0.500 0.500 0.000 Ru 0.500 0.000 0.500

553

Below is a description of a superconductor material.

The chemical formula is ZrB6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.05 4.05 4.05 90 90 90 Zr 0.000 0.000 0.000 B 0.197 0.500 0.500 B 0.500 0.500 0.803 B 0.500 0.500 0.197 B 0.500 0.197 0.500 B 0.500 0.803 0.500 B 0.803 0.500 0.500

554

Below is a description of a superconductor material.

The chemical formula is YGe . The Tc_supercon is 0.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.98 4.27 5.78 111 90 90 Y 0.250 0.862 0.725 Y 0.750 0.138 0.275 Ge 0.250 0.587 0.174 Ge 0.750 0.413 0.826

555

Below is a description of a superconductor material.

The chemical formula is Be2IrRh . The Tc_supercon is 4.25. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

9.57 6.78 5.58 22 29 19 Be 0.750 0.001 0.998 Be 0.250 0.999 0.002 Ir 0.500 -0.000 -0.000 Rh 0.000 0.000 0.000

556

Below is a description of a superconductor material.

The chemical formula is NbAlNi2 . The Tc_supercon is 6.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.24 4.24 4.24 60 60 60 Nb 0.500 0.500 0.500 Al 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750

557

Below is a description of a superconductor material.

The chemical formula is MgInO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.09 4.09 4.09 90 90 90 Mg 0.000 0.000 0.000 In 0.500 0.500 0.500 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500

558

Below is a description of a superconductor material.

The chemical formula is Al2CoOs . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.18 4.18 4.18 60 60 60 Al 0.500 0.500 0.500 Al 0.000 0.000 0.000 Co 0.250 0.250 0.250 Os 0.750 0.750 0.750

559

Below is a description of a superconductor material.

The chemical formula is AsPd2Rh . The Tc_supercon is 4.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.42 4.42 4.42 60 60 60 As 0.500 0.500 0.500 Pd 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Rh 0.750 0.750 0.750

560

Below is a description of a superconductor material.

The chemical formula is TiAl . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.82 2.82 4.09 90 90 90 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000

561

Below is a description of a superconductor material.

The chemical formula is ScBeGe . The Tc_supercon is 0.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.81 3.81 3.74 90 90 119 Sc 0.333 0.667 0.667 Be 0.000 0.000 0.167 Ge 0.667 0.333 0.167

562

Below is a description of a superconductor material.

The chemical formula is Be2GaOs . The Tc_supercon is 4.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.03 3.03 5.13 90 90 90 Be 0.000 0.000 0.710 Be 0.000 0.000 0.290 Ga 0.500 0.500 0.000 Os 0.500 0.500 0.500

563

Below is a description of a superconductor material.

The chemical formula is CrRh3 . The Tc_supercon is 4.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.78 3.78 3.78 90 90 90 Cr 0.000 0.000 0.000 Rh 0.000 0.500 0.500 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500

564

Below is a description of a superconductor material.

The chemical formula is AlOs . The Tc_supercon is 3.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.03 3.03 3.03 90 90 90 Al 0.000 0.000 0.000 Os 0.500 0.500 0.500

565

Below is a description of a superconductor material.

The chemical formula is TaRu . The Tc_supercon is 2.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.17 3.17 3.17 90 90 90 Ta 0.500 0.500 0.500 Ru 0.000 0.000 0.000

566

Below is a description of a superconductor material.

The chemical formula is ScInNi2 . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.43 4.43 4.43 60 60 60 Sc 0.500 0.500 0.500 In 0.000 0.000 0.000 Ni 0.750 0.750 0.750 Ni 0.250 0.250 0.250

567

Below is a description of a superconductor material.

The chemical formula is LiC . The Tc_supercon is 21.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.22 4.93 3.35 70 113 148 Li 0.375 0.460 -0.077 Li 0.271 -0.040 0.623 C -0.017 0.460 0.227 C 0.663 -0.041 0.319

568

Below is a description of a superconductor material.

The chemical formula is NbO . The Tc_supercon is 3.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

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

569

Below is a description of a superconductor material.

The chemical formula is Na3O . The Tc_supercon is 0.12. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.59 4.59 4.62 89 90 89 Na 0.142 0.013 0.974 Na 0.142 0.513 0.474 Na 0.642 0.014 0.474 O 0.142 0.013 0.474

570

Below is a description of a superconductor material.

The chemical formula is HfCl2 . The Tc_supercon is 1.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.74 4.74 3.19 90 90 120 Hf 0.000 0.000 0.000 Cl 0.333 0.667 0.000 Cl 0.667 0.333 0.000

571

Below is a description of a superconductor material.

The chemical formula is VC . The Tc_supercon is 28.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.95 2.95 2.95 60 60 60 V 0.000 0.000 0.000 C 0.500 0.500 0.500

572

Below is a description of a superconductor material.

The chemical formula is CuSnRh2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.40 4.40 4.40 60 59 60 Cu 0.000 0.000 0.000 Sn 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750

573

Below is a description of a superconductor material.

The chemical formula is Be2Nb . The Tc_supercon is 3.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.63 4.63 4.63 60 60 60 Be 0.500 0.500 0.500 Be 0.500 0.500 -0.000 Be -0.000 0.500 0.500 Be 0.500 0.000 0.500 Nb 0.875 0.875 0.875 Nb 0.125 0.125 0.125

574

Below is a description of a superconductor material.

The chemical formula is BeGeIr2 . The Tc_supercon is 4.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.03 3.03 5.83 90 90 90 Be 0.000 0.000 0.468 Ge 0.500 0.500 0.743 Ir 0.000 0.000 0.968 Ir 0.500 0.500 0.322

575

Below is a description of a superconductor material.

The chemical formula is VSi2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.60 4.60 6.40 90 90 119 V 0.500 0.500 0.667 V -0.000 0.500 0.333 V 0.500 -0.000 0.000 Si 0.163 0.326 0.000 Si 0.326 0.163 0.333 Si 0.837 0.163 0.667 Si 0.837 0.674 0.000 Si 0.674 0.837 0.333 Si 0.163 0.837 0.667

576

Below is a description of a superconductor material.

The chemical formula is NaBePd2 . The Tc_supercon is 0.14. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.09 3.09 6.77 90 90 90 Na 0.500 0.500 0.748 Be 0.000 0.000 0.397 Pd 0.000 0.000 0.044 Pd 0.500 0.500 0.311

577

Below is a description of a superconductor material.

The chemical formula is Sc2AlZn . The Tc_supercon is 1.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.76 4.76 4.76 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.250 0.250 0.250 Zn 0.750 0.750 0.750

578

Below is a description of a superconductor material.

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

3.77 3.77 7.91 90 90 120 Zr 0.000 0.000 0.000 Zr 0.000 0.000 0.500 Te 0.333 0.667 0.250 Te 0.667 0.333 0.750

579

Below is a description of a superconductor material.

The chemical formula is HfTaRu2 . The Tc_supercon is 5.48. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.53 4.53 4.53 60 60 60 Hf 0.500 0.500 0.500 Ta 0.000 0.000 0.000 Ru 0.250 0.250 0.250 Ru 0.750 0.750 0.750

580

Below is a description of a superconductor material.

The chemical formula is Sc2Al . The Tc_supercon is 3.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.88 4.88 6.14 90 90 120 Sc 0.000 0.000 0.000 Sc 0.000 0.000 0.500 Sc 0.333 0.667 0.750 Sc 0.667 0.333 0.250 Al 0.333 0.667 0.250 Al 0.667 0.333 0.750

581

Below is a description of a superconductor material.

The chemical formula is V3Sn . The Tc_supercon is 7.47. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.96 4.96 4.96 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 Sn 0.500 0.500 0.500 Sn 0.000 0.000 0.000

582

Below is a description of a superconductor material.

The chemical formula is MgTe2 . The Tc_supercon is 3.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.17 3.13 7.61 90 74 90 Mg 0.467 0.000 0.133 Te 0.100 0.000 -0.140 Te -0.167 0.000 0.407

583

Below is a description of a superconductor material.

The chemical formula is TiAl . The Tc_supercon is 1.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.82 2.82 4.09 90 90 90 Ti 0.000 0.000 0.000 Al 0.500 0.500 0.500

584

Below is a description of a superconductor material.

The chemical formula is NaS2 . The Tc_supercon is 0.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.56 3.26 5.15 90 90 90 Na 0.467 0.000 0.133 S -0.033 0.000 -0.174 S -0.033 0.000 0.440

585

Below is a description of a superconductor material.

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

3.71 3.71 7.15 90 90 120 Hf 0.000 0.000 0.000 Hf 0.000 0.000 0.500 Be 0.333 0.667 0.750 Be 0.667 0.333 0.250 Si 0.333 0.667 0.250 Si 0.667 0.333 0.750

586

Below is a description of a superconductor material.

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

4.29 4.29 2.79 90 90 120 Si 0.667 0.333 0.000 Cl 0.000 0.000 0.000 F 0.333 0.667 0.000

587

Below is a description of a superconductor material.

The chemical formula is VP . The Tc_supercon is 5.59. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.34 3.34 5.88 90 90 120 V 0.333 0.667 0.250 V 0.667 0.333 0.750 P 0.000 0.000 0.000 P 0.000 0.000 0.500

588

Below is a description of a superconductor material.

The chemical formula is VGeO2 . The Tc_supercon is 6.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.77 2.77 6.64 90 90 90 V 0.500 0.500 0.577 Ge 0.000 0.000 0.122 O 0.000 0.000 0.486 O 0.500 0.500 0.826

589

Below is a description of a superconductor material.

The chemical formula is ZrSc . The Tc_supercon is 10.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.25 3.25 5.13 90 90 119 Zr 0.000 0.000 0.000 Sc 0.333 0.667 0.500

590

Below is a description of a superconductor material.

The chemical formula is TiAl . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.82 2.82 4.09 90 90 90 Ti 0.500 0.500 0.500 Al 0.000 0.000 0.000

591

Below is a description of a superconductor material.

The chemical formula is LiI2 . The Tc_supercon is 2.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.73 5.73 4.46 90 90 120 Li 0.000 0.000 0.000 I 0.333 0.667 0.000 I 0.667 0.333 0.000

592

Below is a description of a superconductor material.

The chemical formula is Nb3Os . The Tc_supercon is 4.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.18 5.18 5.18 90 90 90 Nb 0.250 0.000 0.500 Nb 0.750 0.000 0.500 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 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500

593

Below is a description of a superconductor material.

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

3.68 4.00 5.35 111 90 90 Sc 0.250 0.861 0.722 Sc 0.750 0.139 0.278 Si 0.250 0.582 0.165 Si 0.750 0.418 0.835

594

Below is a description of a superconductor material.

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

3.38 3.38 4.17 90 90 119 B 0.000 0.000 0.000 B 0.000 0.000 0.500 Rh 0.333 0.667 0.250 Rh 0.667 0.333 0.750

595

Below is a description of a superconductor material.

The chemical formula is Ta2CrRu . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.43 4.43 4.43 60 60 60 Ta 0.000 0.000 0.000 Ta 0.500 0.500 0.500 Cr 0.250 0.250 0.250 Ru 0.750 0.750 0.750

596

Below is a description of a superconductor material.

The chemical formula is BaMgO . The Tc_supercon is 1.96. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.05 7.75 4.11 90 90 121 Ba 0.205 -0.160 0.000 Mg 0.195 0.331 0.000 O -0.090 0.047 0.000

597

Below is a description of a superconductor material.

The chemical formula is Zr3AlN4 . The Tc_supercon is 4.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.21 3.21 8.95 90 90 90 Zr 0.500 0.500 0.752 Zr 0.000 0.000 0.500 Zr 0.500 0.500 0.248 Al 0.000 0.000 0.000 N 0.000 0.000 0.226 N 0.500 0.500 0.000 N 0.000 0.000 0.774 N 0.500 0.500 0.500

598

Below is a description of a superconductor material.

The chemical formula is TiSe . The Tc_supercon is 5.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.46 3.46 6.89 90 90 120 Ti 0.667 0.333 0.750 Ti 0.333 0.667 0.250 Se 0.000 0.000 0.500 Se 0.000 0.000 0.000

599