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 Sc3PbC . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.54 4.54 4.54 90 90 90 Sc 0.000 0.500 0.500 Sc 0.500 0.500 0.000 Sc 0.500 0.000 0.500 Pb 0.000 0.000 0.000 C 0.500 0.500 0.500	400
Below is a description of a superconductor material.	The chemical formula is KZrS2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.74 3.74 7.71 75 75 60 K 0.500 0.500 0.500 Zr 0.000 0.000 0.000 S 0.734 0.734 0.797 S 0.266 0.266 0.203	401
Below is a description of a superconductor material.	The chemical formula is VS . The Tc_supercon is 7.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.23 5.79 5.87 90 90 90 V 0.250 0.804 0.011 V 0.750 0.196 0.989 V 0.750 0.304 0.489 V 0.250 0.696 0.511 S 0.250 0.423 0.218 S 0.750 0.577 0.782 S 0.750 0.923 0.282 S 0.250 0.077 0.718	402
Below is a description of a superconductor material.	The chemical formula is SiNi3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.51 3.51 3.51 90 90 90 Si 0.000 0.000 0.000 Ni 0.000 0.500 0.500 Ni 0.500 0.500 0.000 Ni 0.500 0.000 0.500	403
Below is a description of a superconductor material.	The chemical formula is Sc2GaIr . The Tc_supercon is 1.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.64 4.64 4.64 60 60 60 Sc 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Ga 0.250 0.250 0.250 Ir 0.750 0.750 0.750	404
Below is a description of a superconductor material.	The chemical formula is NbBrO . The Tc_supercon is 1.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.30 4.16 8.22 90 90 90 Nb 0.500 0.500 0.913 Nb 0.000 0.000 0.087 Br 0.000 0.500 0.663 Br 0.500 0.000 0.337 O 0.500 0.000 0.899 O 0.000 0.500 0.101	405
Below is a description of a superconductor material.	The chemical formula is BO . The Tc_supercon is 10.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.59 2.59 2.53 90 90 119 B 0.000 0.000 0.000 O 0.333 0.667 0.000	406
Below is a description of a superconductor material.	The chemical formula is Zr3Ga . The Tc_supercon is 2.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.34 4.34 4.34 90 90 90 Zr 0.000 0.500 0.500 Zr 0.500 0.000 0.500 Zr 0.500 0.500 0.000 Ga 0.000 0.000 0.000	407
Below is a description of a superconductor material.	The chemical formula is Sc2BeTc . The Tc_supercon is 3.29. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.53 4.53 4.53 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Be 0.250 0.250 0.250 Tc 0.750 0.750 0.750	408
Below is a description of a superconductor material.	The chemical formula is FeN . The Tc_supercon is 9.81. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.99 2.99 2.99 60 60 60 Fe 0.000 0.000 0.000 N 0.250 0.250 0.250	409
Below is a description of a superconductor material.	The chemical formula is WN2 . The Tc_supercon is 5.91. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.84 4.84 2.97 90 90 90 W 0.000 0.000 0.000 W 0.500 0.500 0.500 N 0.697 0.697 0.000 N 0.303 0.303 0.000 N 0.197 0.803 0.500 N 0.803 0.197 0.500	410
Below is a description of a superconductor material.	The chemical formula is ZnB2N2 . The Tc_supercon is 16.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.68 2.68 6.16 90 90 90 Zn 0.000 0.000 0.500 B 0.500 0.500 0.139 B 0.500 0.500 0.861 N 0.000 0.500 0.749 N 0.500 0.000 0.251	411
Below is a description of a superconductor material.	The chemical formula is ScGa . The Tc_supercon is 2.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.86 4.04 5.48 111 90 90 Sc 0.250 0.862 0.724 Sc 0.750 0.138 0.276 Ga 0.250 0.583 0.166 Ga 0.750 0.417 0.834	412
Below is a description of a superconductor material.	The chemical formula is MgSi2N2 . The Tc_supercon is 1.2. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.99 2.99 6.99 90 90 90 Mg 0.000 0.000 0.500 Si 0.500 0.500 0.164 Si 0.500 0.500 0.836 N 0.000 0.500 0.698 N 0.500 0.000 0.302	413
Below is a description of a superconductor material.	The chemical formula is V3Re . The Tc_supercon is 1.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.26 4.26 4.26 60 60 60 V 0.000 0.000 0.000 V 0.500 0.500 0.500 V 0.250 0.250 0.250 Re 0.750 0.750 0.750	414
Below is a description of a superconductor material.	The chemical formula is Be2NiP . The Tc_supercon is 7.23. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.00 3.00 4.47 90 90 90 Be 0.000 0.000 0.750 Be 0.000 0.000 0.250 Ni 0.500 0.500 0.000 P 0.500 0.500 0.500	415
Below is a description of a superconductor material.	The chemical formula is VTc . The Tc_supercon is 2.7. 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	416
Below is a description of a superconductor material.	The chemical formula is HfAlCu2 . The Tc_supercon is 0.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.39 4.39 4.39 60 59 59 Hf 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	417
Below is a description of a superconductor material.	The chemical formula is NaScF2 . The Tc_supercon is 3.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.09 3.09 6.24 90 90 90 Na 0.500 0.500 0.509 Sc 0.000 0.000 0.026 F 0.000 0.000 0.361 F 0.500 0.500 0.114	418
Below is a description of a superconductor material.	The chemical formula is Y2Cr2C3 . The Tc_supercon is 4.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.40 5.47 5.56 104 90 108 Y 0.395 0.790 0.683 Y 0.605 0.210 0.317 Cr 0.157 0.314 0.890 Cr 0.843 0.686 0.110 C 0.712 0.424 0.772 C 0.288 0.576 0.228 C 0.000 0.000 0.000	419
Below is a description of a superconductor material.	The chemical formula is TiSb . The Tc_supercon is 0.28. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.05 4.05 6.25 90 90 120 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.500 Sb 0.333 0.667 0.750 Sb 0.667 0.333 0.250	420
Below is a description of a superconductor material.	The chemical formula is TiS . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.28 3.28 3.22 90 90 120 Ti 0.000 0.000 0.000 S 0.333 0.667 0.500	421
Below is a description of a superconductor material.	The chemical formula is BeHO . The Tc_supercon is 8.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.59 4.37 3.23 90 90 73 Be 0.233 -0.124 0.000 H -0.058 0.440 0.000 O 0.825 0.683 0.000	422
Below is a description of a superconductor material.	The chemical formula is Al3Fe . The Tc_supercon is 0.3. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.38 5.38 4.38 90 90 120 Al 0.343 0.172 0.250 Al 0.828 0.172 0.250 Al 0.828 0.657 0.250 Al 0.657 0.828 0.750 Al 0.172 0.828 0.750 Al 0.172 0.343 0.750 Fe 0.667 0.333 0.750 Fe 0.333 0.667 0.250	423
Below is a description of a superconductor material.	The chemical formula is NiSb . The Tc_supercon is 0.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.97 3.97 5.19 90 90 119 Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Sb 0.333 0.667 0.250 Sb 0.667 0.333 0.750	424
Below is a description of a superconductor material.	The chemical formula is Be2CrIr . The Tc_supercon is 0.99. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.74 2.74 5.67 90 90 90 Be 0.000 0.000 0.024 Be 0.500 0.500 0.222 Cr 0.000 0.000 0.481 Ir 0.500 0.500 0.773	425
Below is a description of a superconductor material.	The chemical formula is CaAsN2 . The Tc_supercon is 2.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.25 3.25 5.26 90 90 90 Ca 0.500 0.500 0.479 As 0.000 0.000 0.927 N 0.000 0.000 0.593 N 0.500 0.500 0.011	426
Below is a description of a superconductor material.	The chemical formula is Ca2BeIn . The Tc_supercon is 2.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.21 5.21 3.71 90 90 90 Ca 0.500 0.000 0.000 Ca 0.000 0.500 0.000 Be 0.000 0.000 0.500 In 0.500 0.500 0.500	427
Below is a description of a superconductor material.	The chemical formula is TiGaFeCo . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.10 4.10 4.10 60 60 60 Ti 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Fe 0.750 0.750 0.750 Co 0.250 0.250 0.250	428
Below is a description of a superconductor material.	The chemical formula is MgSbRu2 . The Tc_supercon is 0.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.46 4.46 4.46 60 60 60 Mg 0.250 0.250 0.250 Sb 0.750 0.750 0.750 Ru 0.000 0.000 0.000 Ru 0.500 0.500 0.500	429
Below is a description of a superconductor material.	The chemical formula is MgVO3 . The Tc_supercon is 0.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.75 3.75 3.75 90 90 90 Mg 0.000 0.000 0.000 V 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	430
Below is a description of a superconductor material.	The chemical formula is Li3NbP2 . The Tc_supercon is 3.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.91 3.91 6.11 90 90 120 Li 0.000 0.000 0.500 Li 0.667 0.333 0.328 Li 0.333 0.667 0.672 Nb 0.000 0.000 0.000 P 0.333 0.667 0.238 P 0.667 0.333 0.762	431
Below is a description of a superconductor material.	The chemical formula is YAl3 . The Tc_supercon is 0.07. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.28 4.28 4.28 90 90 90 Y 0.000 0.000 0.000 Al 0.000 0.500 0.500 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500	432
Below is a description of a superconductor material.	The chemical formula is HfTiB4 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.09 3.09 6.75 90 90 120 Hf 0.000 0.000 0.000 Ti 0.000 0.000 0.500 B 0.667 0.333 0.737 B 0.667 0.333 0.263 B 0.333 0.667 0.737 B 0.333 0.667 0.263	433
Below is a description of a superconductor material.	The chemical formula is HfN . The Tc_supercon is 8.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.21 3.21 3.21 59 59 59 Hf 0.000 0.000 0.000 N 0.500 0.500 0.500	434
Below is a description of a superconductor material.	The chemical formula is Ti2O . The Tc_supercon is 0.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.97 2.97 4.82 90 90 120 Ti 0.333 0.667 0.732 Ti 0.667 0.333 0.268 O 0.000 0.000 0.000	435
Below is a description of a superconductor material.	The chemical formula is Ti2BeMo . The Tc_supercon is 10.51. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.19 3.19 5.64 90 90 90 Ti 0.000 0.000 0.984 Ti 0.500 0.500 0.277 Be 0.000 0.000 0.515 Mo 0.500 0.500 0.724	436
Below is a description of a superconductor material.	The chemical formula is AlTe2 . The Tc_supercon is 3.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.89 3.07 7.84 90 90 90 Al 0.467 0.000 0.000 Te -0.033 0.000 0.743 Te -0.033 0.000 0.257	437
Below is a description of a superconductor material.	The chemical formula is RbMoCl2 . The Tc_supercon is 1.66. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.51 3.51 7.61 90 90 90 Rb 0.500 0.500 0.593 Mo 0.000 0.000 0.001 Cl 0.000 0.000 0.340 Cl 0.500 0.500 0.076	438
Below is a description of a superconductor material.	The chemical formula is Mn2BeGa . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.77 2.77 5.67 90 90 90 Mn 0.000 0.000 0.031 Mn 0.500 0.500 0.262 Be 0.000 0.000 0.468 Ga 0.500 0.500 0.739	439
Below is a description of a superconductor material.	The chemical formula is AlHO . The Tc_supercon is 0.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.38 3.38 4.59 90 90 90 Al 0.000 0.500 0.694 Al 0.500 0.000 0.306 H 0.000 0.000 0.000 H 0.500 0.500 0.000 O 0.500 0.500 0.500 O 0.000 0.000 0.500	440
Below is a description of a superconductor material.	The chemical formula is ScTaN2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.07 3.07 10.64 90 90 119 Sc 0.000 0.000 0.000 Sc 0.000 0.000 0.500 Ta 0.333 0.667 0.250 Ta 0.667 0.333 0.750 N 0.333 0.667 0.624 N 0.667 0.333 0.376 N 0.667 0.333 0.124 N 0.333 0.667 0.876	441
Below is a description of a superconductor material.	The chemical formula is Ti2GeC . The Tc_supercon is 0.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.10 3.10 12.96 90 90 119 Ti 0.667 0.333 0.411 Ti 0.333 0.667 0.589 Ti 0.333 0.667 0.911 Ti 0.667 0.333 0.089 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	442
Below is a description of a superconductor material.	The chemical formula is CrB . The Tc_supercon is 2.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.91 2.93 4.19 110 90 90 Cr 0.750 0.146 0.292 Cr 0.250 0.854 0.708 B 0.750 0.436 0.872 B 0.250 0.564 0.128	443
Below is a description of a superconductor material.	The chemical formula is LiTiO2 . The Tc_supercon is 5.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.23 5.23 5.23 32 32 32 Li 0.500 0.500 0.500 Ti 0.000 0.000 0.000 O 0.253 0.253 0.253 O 0.747 0.747 0.747	444
Below is a description of a superconductor material.	The chemical formula is ZnClO . The Tc_supercon is 0.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.41 4.41 5.29 90 90 90 Zn 0.000 0.500 0.224 Zn 0.500 0.000 0.776 Cl 0.500 0.500 0.000 Cl 0.000 0.000 0.000 O 0.000 0.500 0.571 O 0.500 0.000 0.429	445
Below is a description of a superconductor material.	The chemical formula is Cr3PdN . The Tc_supercon is 12.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.83 3.83 3.83 90 90 90 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.000 Pd 0.000 0.000 0.000 N 0.500 0.500 0.500	446
Below is a description of a superconductor material.	The chemical formula is Hf2BeTc . The Tc_supercon is 0.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.55 4.55 4.55 120 120 89 Hf 0.000 0.000 0.000 Hf 0.500 0.500 0.000 Be 0.750 0.250 0.500 Tc 0.250 0.750 0.500	447
Below is a description of a superconductor material.	The chemical formula is P3Rh . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.01 7.01 7.01 109 109 109 P 0.494 0.140 0.355 P 0.140 0.645 0.785 P 0.355 0.215 0.860 P 0.860 0.645 0.506 P 0.645 0.785 0.140 P 0.860 0.355 0.215 P 0.645 0.506 0.860 P 0.355 0.494 0.140 P 0.140 0.355 0.494 P 0.785 0.140 0.645 P 0.215 0.860 0.355 P 0.506 0.860 0.645 Rh 0.500 0.500 0.500 Rh 0.000 0.500 -0.000 Rh 0.000 0.000 0.500 Rh 0.500 0.000 0.000	448
Below is a description of a superconductor material.	The chemical formula is NaGeF . The Tc_supercon is 5.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.94 2.94 7.15 90 90 90 Na 0.000 0.000 0.002 Ge 0.000 0.000 0.562 F 0.000 0.000 0.294	449
Below is a description of a superconductor material.	The chemical formula is RhO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.51 4.51 3.11 90 90 90 Rh 0.000 0.000 0.000 Rh 0.500 0.500 0.500 O 0.307 0.307 0.000 O 0.807 0.193 0.500 O 0.193 0.807 0.500 O 0.693 0.693 0.000	450
Below is a description of a superconductor material.	The chemical formula is Ba2LiSn . The Tc_supercon is 1.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.98 5.98 5.98 60 60 60 Ba 0.250 0.250 0.250 Ba 0.750 0.750 0.750 Li 0.000 0.000 0.000 Sn 0.500 0.500 0.500	451
Below is a description of a superconductor material.	The chemical formula is CaGa . The Tc_supercon is 1.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.04 4.41 6.06 90 109 90 Ca 0.646 0.250 0.291 Ca 0.354 0.750 0.709 Ga 0.930 0.250 0.860 Ga 0.070 0.750 0.140	452
Below is a description of a superconductor material.	The chemical formula is Nb3Os . The Tc_supercon is 0.44. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.59 4.59 4.59 60 60 60 Nb 0.250 0.250 0.250 Nb 0.750 0.750 0.750 Nb 0.500 0.500 0.500 Os 0.000 0.000 0.000	453
Below is a description of a superconductor material.	The chemical formula is LaS2 . The Tc_supercon is 3.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.34 4.36 5.78 90 89 90 La 0.467 0.000 0.133 S -0.033 0.000 -0.165 S -0.034 0.000 0.432	454
Below is a description of a superconductor material.	The chemical formula is MnBeRh2 . The Tc_supercon is 2.89. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.71 2.71 6.34 90 90 90 Mn 0.500 0.500 0.722 Be 0.000 0.000 0.503 Rh 0.000 0.000 0.978 Rh 0.500 0.500 0.297	455
Below is a description of a superconductor material.	The chemical formula is CoSi . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.45 4.45 4.45 90 90 90 Co 0.856 0.644 0.356 Co 0.644 0.356 0.856 Co 0.356 0.856 0.644 Co 0.144 0.144 0.144 Si 0.158 0.342 0.658 Si 0.342 0.658 0.158 Si 0.658 0.158 0.342 Si 0.842 0.842 0.842	456
Below is a description of a superconductor material.	The chemical formula is NaZnSe . The Tc_supercon is 10.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.05 3.05 8.00 90 90 90 Na 0.000 0.000 -0.099 Zn 0.000 0.000 0.551 Se 0.000 0.000 0.242	457
Below is a description of a superconductor material.	The chemical formula is AlNi . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.89 2.89 2.89 90 90 90 Al 0.500 0.500 0.500 Ni 0.000 0.000 0.000	458
Below is a description of a superconductor material.	The chemical formula is MoO2 . The Tc_supercon is 7.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.09 5.09 5.09 33 33 33 Mo 0.000 0.000 0.000 O 0.253 0.253 0.253 O 0.747 0.747 0.747	459
Below is a description of a superconductor material.	The chemical formula is Nb6C5 . The Tc_supercon is 2.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.53 5.52 5.52 80 70 59 Nb 0.736 0.000 0.736 Nb 0.264 0.000 0.264 Nb 0.435 0.648 0.747 Nb 0.917 0.648 0.253 Nb 0.565 0.352 0.253 Nb 0.083 0.352 0.747 C 0.500 0.000 0.500 C 0.335 0.330 0.000 C 0.665 0.670 0.000 C 0.167 0.667 0.500 C 0.833 0.333 0.500	460
Below is a description of a superconductor material.	The chemical formula is LiFeF . The Tc_supercon is 4.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.47 6.05 2.41 90 90 66 Li 0.012 -0.174 0.000 Fe -0.058 0.397 0.000 F 0.293 0.046 0.000	461
Below is a description of a superconductor material.	The chemical formula is HfScOs2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.57 4.57 4.57 60 60 60 Hf 0.250 0.250 0.250 Sc 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500	462
Below is a description of a superconductor material.	The chemical formula is NaPS . The Tc_supercon is 0.14. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	7.02 4.11 3.29 90 90 54 Na -0.229 0.077 0.000 P 0.424 -0.076 0.000 S 0.078 0.271 0.000	463
Below is a description of a superconductor material.	The chemical formula is NaAlF3 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.01 4.01 4.01 90 90 90 Na 0.000 0.000 0.000 Al 0.500 0.500 0.500 F 0.000 0.500 0.500 F 0.500 0.000 0.500 F 0.500 0.500 0.000	464
Below is a description of a superconductor material.	The chemical formula is HfO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.04 3.32 3.73 90 90 90 Hf 0.590 0.000 -0.033 O -0.304 0.000 -0.533 O 0.113 0.000 -0.033	465
Below is a description of a superconductor material.	The chemical formula is ScRu . The Tc_supercon is 2.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.20 3.20 3.20 90 90 90 Sc 0.500 0.500 0.500 Ru 0.000 0.000 0.000	466
Below is a description of a superconductor material.	The chemical formula is NbIr3 . The Tc_supercon is 0.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.94 3.94 3.94 90 90 90 Nb 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	467
Below is a description of a superconductor material.	The chemical formula is TiBe2Se . The Tc_supercon is 6.2. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.19 3.19 5.17 90 90 90 Ti 0.500 0.500 0.743 Be 0.000 0.000 0.050 Be 0.500 0.500 0.213 Se 0.000 0.000 0.493	468
Below is a description of a superconductor material.	The chemical formula is Be2NiMo . The Tc_supercon is 0.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.63 2.63 6.11 90 90 90 Be 0.000 0.000 0.006 Be 0.500 0.500 0.201 Ni 0.500 0.500 0.804 Mo 0.000 0.000 0.489	469
Below is a description of a superconductor material.	The chemical formula is TaNbAl6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.85 3.85 8.61 90 90 90 Ta 0.500 0.500 0.500 Nb 0.000 0.000 0.000 Al 0.500 0.500 0.000 Al 0.000 0.000 0.500 Al 0.000 0.500 0.251 Al 0.500 0.000 0.749 Al 0.500 0.000 0.251 Al 0.000 0.500 0.749	470
Below is a description of a superconductor material.	The chemical formula is TiSe . The Tc_supercon is 5.66. 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	471
Below is a description of a superconductor material.	The chemical formula is ZrRh3 . The Tc_supercon is 0.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.96 3.96 3.96 90 90 90 Zr 0.000 0.000 0.000 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500	472
Below is a description of a superconductor material.	The chemical formula is MnVAs . The Tc_supercon is 3.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.53 3.53 6.38 90 90 90 Mn 0.000 0.500 0.335 Mn 0.500 0.000 0.665 V 0.500 0.500 0.000 V 0.000 0.000 0.000 As 0.000 0.500 0.705 As 0.500 0.000 0.295	473
Below is a description of a superconductor material.	The chemical formula is MgNbO . The Tc_supercon is 5.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.58 2.91 2.95 90 90 63 Mg -0.145 -0.006 0.000 Nb 0.399 -0.049 0.000 O 0.072 0.278 0.000	474
Below is a description of a superconductor material.	The chemical formula is LiSc2Au . The Tc_supercon is 0.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.76 4.76 4.76 59 59 59 Li 0.750 0.750 0.750 Sc 1.000 1.000 1.000 Sc 0.500 0.500 0.500 Au 0.250 0.250 0.250	475
Below is a description of a superconductor material.	The chemical formula is YCoC2 . The Tc_supercon is 0.43. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.57 3.76 3.76 106 90 90 Y 0.000 0.997 0.003 Co 0.500 0.615 0.385 C 0.500 0.152 0.544 C 0.500 0.456 0.848	476
Below is a description of a superconductor material.	The chemical formula is MgNiSb . The Tc_supercon is 0.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.30 4.30 4.30 60 60 60 Mg 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Sb 0.000 0.000 0.000	477
Below is a description of a superconductor material.	The chemical formula is SiOF . The Tc_supercon is 7.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.57 3.57 2.69 90 90 120 Si 0.667 0.333 0.000 O 0.333 0.667 0.000 F 0.000 0.000 0.000	478
Below is a description of a superconductor material.	The chemical formula is BeTc2Rh . The Tc_supercon is 8.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.80 2.80 6.48 90 90 90 Be 0.000 0.000 0.512 Tc 0.000 0.000 0.004 Tc 0.500 0.500 0.274 Rh 0.500 0.500 0.710	479
Below is a description of a superconductor material.	The chemical formula is CaSi . The Tc_supercon is 0.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.91 4.54 5.81 112 90 90 Ca 0.250 0.861 0.722 Ca 0.750 0.139 0.278 Si 0.250 0.571 0.141 Si 0.750 0.429 0.859	480
Below is a description of a superconductor material.	The chemical formula is Be2FeSi . The Tc_supercon is 0.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.91 2.91 4.61 90 90 90 Be 0.000 0.000 0.771 Be 0.000 0.000 0.229 Fe 0.500 0.500 0.000 Si 0.500 0.500 0.500	481
Below is a description of a superconductor material.	The chemical formula is ScBC . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.91 2.91 7.36 90 90 119 Sc 0.000 0.000 0.500 Sc 0.000 0.000 0.000 B 0.333 0.667 0.750 B 0.667 0.333 0.250 C 0.333 0.667 0.250 C 0.667 0.333 0.750	482
Below is a description of a superconductor material.	The chemical formula is ZrN . The Tc_supercon is 9.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.25 3.25 3.25 60 60 60 Zr 0.500 0.500 0.500 N 0.000 0.000 0.000	483
Below is a description of a superconductor material.	The chemical formula is Y2Fe2Si2C . The Tc_supercon is 0.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.92 5.65 5.67 73 69 69 Y 0.440 0.825 0.294 Y 0.560 0.175 0.706 Fe 0.800 0.306 0.094 Fe 0.200 0.694 0.906 Si 0.836 0.610 0.718 Si 0.164 0.390 0.282 C 0.000 0.000 0.000	484
Below is a description of a superconductor material.	The chemical formula is Nb3Ru . The Tc_supercon is 1.14. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.58 4.58 4.58 60 60 60 Nb 0.000 0.000 0.000 Nb 0.500 0.500 0.500 Nb 0.250 0.250 0.250 Ru 0.750 0.750 0.750	485
Below is a description of a superconductor material.	The chemical formula is NbN . The Tc_supercon is 17.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.76 2.76 2.76 90 90 90 Nb 0.000 0.000 0.000 N 0.500 0.500 0.500	486
Below is a description of a superconductor material.	The chemical formula is BaCuCl2 . The Tc_supercon is 0.7. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.24 4.24 5.97 90 90 90 Ba 0.500 0.500 0.579 Cu 0.000 0.000 0.968 Cl 0.000 0.000 0.395 Cl 0.500 0.500 0.069	487
Below is a description of a superconductor material.	The chemical formula is CoSb . The Tc_supercon is 0.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.88 3.88 5.22 90 90 120 Co 0.000 0.000 0.000 Co 0.000 0.000 0.500 Sb 0.333 0.667 0.750 Sb 0.667 0.333 0.250	488
Below is a description of a superconductor material.	The chemical formula is Li2BS2 . The Tc_supercon is 4.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.59 3.59 6.10 90 90 119 Li 0.333 0.667 0.621 Li 0.667 0.333 0.379 B 0.000 0.000 0.000 S 0.333 0.667 0.211 S 0.667 0.333 0.789	489
Below is a description of a superconductor material.	The chemical formula is ScN . The Tc_supercon is 20.78. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.19 3.19 3.19 59 60 59 Sc 0.000 0.000 0.000 N 0.500 0.500 0.500	490
Below is a description of a superconductor material.	The chemical formula is TiZn2Pd . The Tc_supercon is 2.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.37 4.37 4.37 60 60 60 Ti 0.000 0.000 0.000 Zn 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Pd 0.500 0.500 0.500	491
Below is a description of a superconductor material.	The chemical formula is VPt . The Tc_supercon is 1.39. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.83 3.83 3.90 90 90 90 V 0.500 0.000 0.500 V 0.000 0.500 0.500 Pt 0.500 0.500 0.000 Pt 0.000 0.000 0.000	492
Below is a description of a superconductor material.	The chemical formula is Sc2GaTc . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.63 4.63 4.63 60 60 60 Sc 0.000 1.000 0.000 Sc 0.500 0.500 0.500 Ga 0.250 0.250 0.250 Tc 0.750 0.750 0.750	493
Below is a description of a superconductor material.	The chemical formula is CrP2 . The Tc_supercon is 0.23. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.05 4.39 6.40 79 76 69 Cr 0.843 0.610 0.704 Cr 0.157 0.390 0.296 P 0.145 0.741 0.970 P 0.855 0.259 0.030 P 0.400 0.800 0.401 P 0.600 0.200 0.599	494
Below is a description of a superconductor material.	The chemical formula is ZnNF2 . The Tc_supercon is 6.12. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.34 3.34 3.92 90 90 90 Zn 0.500 0.500 0.750 N 0.000 0.000 0.687 F 0.000 0.000 0.334 F 0.500 0.500 0.239	495
Below is a description of a superconductor material.	The chemical formula is TiCdO3 . The Tc_supercon is 1.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.88 3.88 3.88 90 90 90 Ti 0.500 0.500 0.500 Cd 0.000 0.000 0.000 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500	496
Below is a description of a superconductor material.	The chemical formula is YGa2 . The Tc_supercon is 2.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.20 4.20 4.10 90 90 120 Y 0.000 0.000 0.000 Ga 0.333 0.667 0.500 Ga 0.667 0.333 0.500	497
Below is a description of a superconductor material.	The chemical formula is Sc2AlAg . The Tc_supercon is 2.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.84 4.84 4.84 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.750 0.750 0.750 Ag 0.250 0.250 0.250	498
Below is a description of a superconductor material.	The chemical formula is ZrInNi2 . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.46 4.46 4.46 60 60 60 Zr 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	499

Below is a description of a superconductor material.

The chemical formula is Sc3PbC . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.54 4.54 4.54 90 90 90 Sc 0.000 0.500 0.500 Sc 0.500 0.500 0.000 Sc 0.500 0.000 0.500 Pb 0.000 0.000 0.000 C 0.500 0.500 0.500

400

Below is a description of a superconductor material.

The chemical formula is KZrS2 . The Tc_supercon is 0.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.74 3.74 7.71 75 75 60 K 0.500 0.500 0.500 Zr 0.000 0.000 0.000 S 0.734 0.734 0.797 S 0.266 0.266 0.203

401

Below is a description of a superconductor material.

The chemical formula is VS . The Tc_supercon is 7.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.23 5.79 5.87 90 90 90 V 0.250 0.804 0.011 V 0.750 0.196 0.989 V 0.750 0.304 0.489 V 0.250 0.696 0.511 S 0.250 0.423 0.218 S 0.750 0.577 0.782 S 0.750 0.923 0.282 S 0.250 0.077 0.718

402

Below is a description of a superconductor material.

The chemical formula is SiNi3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.51 3.51 3.51 90 90 90 Si 0.000 0.000 0.000 Ni 0.000 0.500 0.500 Ni 0.500 0.500 0.000 Ni 0.500 0.000 0.500

403

Below is a description of a superconductor material.

The chemical formula is Sc2GaIr . The Tc_supercon is 1.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.64 4.64 4.64 60 60 60 Sc 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Ga 0.250 0.250 0.250 Ir 0.750 0.750 0.750

404

Below is a description of a superconductor material.

The chemical formula is NbBrO . The Tc_supercon is 1.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.30 4.16 8.22 90 90 90 Nb 0.500 0.500 0.913 Nb 0.000 0.000 0.087 Br 0.000 0.500 0.663 Br 0.500 0.000 0.337 O 0.500 0.000 0.899 O 0.000 0.500 0.101

405

Below is a description of a superconductor material.

The chemical formula is BO . The Tc_supercon is 10.76. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.59 2.59 2.53 90 90 119 B 0.000 0.000 0.000 O 0.333 0.667 0.000

406

Below is a description of a superconductor material.

The chemical formula is Zr3Ga . The Tc_supercon is 2.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.34 4.34 4.34 90 90 90 Zr 0.000 0.500 0.500 Zr 0.500 0.000 0.500 Zr 0.500 0.500 0.000 Ga 0.000 0.000 0.000

407

Below is a description of a superconductor material.

The chemical formula is Sc2BeTc . The Tc_supercon is 3.29. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.53 4.53 4.53 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Be 0.250 0.250 0.250 Tc 0.750 0.750 0.750

408

Below is a description of a superconductor material.

The chemical formula is FeN . The Tc_supercon is 9.81. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.99 2.99 2.99 60 60 60 Fe 0.000 0.000 0.000 N 0.250 0.250 0.250

409

Below is a description of a superconductor material.

The chemical formula is WN2 . The Tc_supercon is 5.91. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.84 4.84 2.97 90 90 90 W 0.000 0.000 0.000 W 0.500 0.500 0.500 N 0.697 0.697 0.000 N 0.303 0.303 0.000 N 0.197 0.803 0.500 N 0.803 0.197 0.500

410

Below is a description of a superconductor material.

The chemical formula is ZnB2N2 . The Tc_supercon is 16.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.68 2.68 6.16 90 90 90 Zn 0.000 0.000 0.500 B 0.500 0.500 0.139 B 0.500 0.500 0.861 N 0.000 0.500 0.749 N 0.500 0.000 0.251

411

Below is a description of a superconductor material.

The chemical formula is ScGa . The Tc_supercon is 2.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.86 4.04 5.48 111 90 90 Sc 0.250 0.862 0.724 Sc 0.750 0.138 0.276 Ga 0.250 0.583 0.166 Ga 0.750 0.417 0.834

412

Below is a description of a superconductor material.

The chemical formula is MgSi2N2 . The Tc_supercon is 1.2. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.99 2.99 6.99 90 90 90 Mg 0.000 0.000 0.500 Si 0.500 0.500 0.164 Si 0.500 0.500 0.836 N 0.000 0.500 0.698 N 0.500 0.000 0.302

413

Below is a description of a superconductor material.

The chemical formula is V3Re . The Tc_supercon is 1.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.26 4.26 4.26 60 60 60 V 0.000 0.000 0.000 V 0.500 0.500 0.500 V 0.250 0.250 0.250 Re 0.750 0.750 0.750

414

Below is a description of a superconductor material.

The chemical formula is Be2NiP . The Tc_supercon is 7.23. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.00 3.00 4.47 90 90 90 Be 0.000 0.000 0.750 Be 0.000 0.000 0.250 Ni 0.500 0.500 0.000 P 0.500 0.500 0.500

415

Below is a description of a superconductor material.

The chemical formula is VTc . The Tc_supercon is 2.7. 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

416

Below is a description of a superconductor material.

The chemical formula is HfAlCu2 . The Tc_supercon is 0.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.39 4.39 4.39 60 59 59 Hf 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

417

Below is a description of a superconductor material.

The chemical formula is NaScF2 . The Tc_supercon is 3.05. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.09 3.09 6.24 90 90 90 Na 0.500 0.500 0.509 Sc 0.000 0.000 0.026 F 0.000 0.000 0.361 F 0.500 0.500 0.114

418

Below is a description of a superconductor material.

The chemical formula is Y2Cr2C3 . The Tc_supercon is 4.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.40 5.47 5.56 104 90 108 Y 0.395 0.790 0.683 Y 0.605 0.210 0.317 Cr 0.157 0.314 0.890 Cr 0.843 0.686 0.110 C 0.712 0.424 0.772 C 0.288 0.576 0.228 C 0.000 0.000 0.000

419

Below is a description of a superconductor material.

The chemical formula is TiSb . The Tc_supercon is 0.28. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.05 4.05 6.25 90 90 120 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.500 Sb 0.333 0.667 0.750 Sb 0.667 0.333 0.250

420

Below is a description of a superconductor material.

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

3.28 3.28 3.22 90 90 120 Ti 0.000 0.000 0.000 S 0.333 0.667 0.500

421

Below is a description of a superconductor material.

The chemical formula is BeHO . The Tc_supercon is 8.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.59 4.37 3.23 90 90 73 Be 0.233 -0.124 0.000 H -0.058 0.440 0.000 O 0.825 0.683 0.000

422

Below is a description of a superconductor material.

The chemical formula is Al3Fe . The Tc_supercon is 0.3. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.38 5.38 4.38 90 90 120 Al 0.343 0.172 0.250 Al 0.828 0.172 0.250 Al 0.828 0.657 0.250 Al 0.657 0.828 0.750 Al 0.172 0.828 0.750 Al 0.172 0.343 0.750 Fe 0.667 0.333 0.750 Fe 0.333 0.667 0.250

423

Below is a description of a superconductor material.

The chemical formula is NiSb . The Tc_supercon is 0.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.97 3.97 5.19 90 90 119 Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Sb 0.333 0.667 0.250 Sb 0.667 0.333 0.750

424

Below is a description of a superconductor material.

The chemical formula is Be2CrIr . The Tc_supercon is 0.99. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.74 2.74 5.67 90 90 90 Be 0.000 0.000 0.024 Be 0.500 0.500 0.222 Cr 0.000 0.000 0.481 Ir 0.500 0.500 0.773

425

Below is a description of a superconductor material.

The chemical formula is CaAsN2 . The Tc_supercon is 2.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.25 3.25 5.26 90 90 90 Ca 0.500 0.500 0.479 As 0.000 0.000 0.927 N 0.000 0.000 0.593 N 0.500 0.500 0.011

426

Below is a description of a superconductor material.

The chemical formula is Ca2BeIn . The Tc_supercon is 2.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.21 5.21 3.71 90 90 90 Ca 0.500 0.000 0.000 Ca 0.000 0.500 0.000 Be 0.000 0.000 0.500 In 0.500 0.500 0.500

427

Below is a description of a superconductor material.

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

4.10 4.10 4.10 60 60 60 Ti 0.500 0.500 0.500 Ga 0.000 0.000 0.000 Fe 0.750 0.750 0.750 Co 0.250 0.250 0.250

428

Below is a description of a superconductor material.

The chemical formula is MgSbRu2 . The Tc_supercon is 0.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.46 4.46 4.46 60 60 60 Mg 0.250 0.250 0.250 Sb 0.750 0.750 0.750 Ru 0.000 0.000 0.000 Ru 0.500 0.500 0.500

429

Below is a description of a superconductor material.

The chemical formula is MgVO3 . The Tc_supercon is 0.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.75 3.75 3.75 90 90 90 Mg 0.000 0.000 0.000 V 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

430

Below is a description of a superconductor material.

The chemical formula is Li3NbP2 . The Tc_supercon is 3.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.91 3.91 6.11 90 90 120 Li 0.000 0.000 0.500 Li 0.667 0.333 0.328 Li 0.333 0.667 0.672 Nb 0.000 0.000 0.000 P 0.333 0.667 0.238 P 0.667 0.333 0.762

431

Below is a description of a superconductor material.

The chemical formula is YAl3 . The Tc_supercon is 0.07. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.28 4.28 4.28 90 90 90 Y 0.000 0.000 0.000 Al 0.000 0.500 0.500 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500

432

Below is a description of a superconductor material.

The chemical formula is HfTiB4 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.09 3.09 6.75 90 90 120 Hf 0.000 0.000 0.000 Ti 0.000 0.000 0.500 B 0.667 0.333 0.737 B 0.667 0.333 0.263 B 0.333 0.667 0.737 B 0.333 0.667 0.263

433

Below is a description of a superconductor material.

The chemical formula is HfN . The Tc_supercon is 8.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.21 3.21 3.21 59 59 59 Hf 0.000 0.000 0.000 N 0.500 0.500 0.500

434

Below is a description of a superconductor material.

The chemical formula is Ti2O . The Tc_supercon is 0.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.97 2.97 4.82 90 90 120 Ti 0.333 0.667 0.732 Ti 0.667 0.333 0.268 O 0.000 0.000 0.000

435

Below is a description of a superconductor material.

The chemical formula is Ti2BeMo . The Tc_supercon is 10.51. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.19 3.19 5.64 90 90 90 Ti 0.000 0.000 0.984 Ti 0.500 0.500 0.277 Be 0.000 0.000 0.515 Mo 0.500 0.500 0.724

436

Below is a description of a superconductor material.

The chemical formula is AlTe2 . The Tc_supercon is 3.54. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.89 3.07 7.84 90 90 90 Al 0.467 0.000 0.000 Te -0.033 0.000 0.743 Te -0.033 0.000 0.257

437

Below is a description of a superconductor material.

The chemical formula is RbMoCl2 . The Tc_supercon is 1.66. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.51 3.51 7.61 90 90 90 Rb 0.500 0.500 0.593 Mo 0.000 0.000 0.001 Cl 0.000 0.000 0.340 Cl 0.500 0.500 0.076

438

Below is a description of a superconductor material.

The chemical formula is Mn2BeGa . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.77 2.77 5.67 90 90 90 Mn 0.000 0.000 0.031 Mn 0.500 0.500 0.262 Be 0.000 0.000 0.468 Ga 0.500 0.500 0.739

439

Below is a description of a superconductor material.

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

3.38 3.38 4.59 90 90 90 Al 0.000 0.500 0.694 Al 0.500 0.000 0.306 H 0.000 0.000 0.000 H 0.500 0.500 0.000 O 0.500 0.500 0.500 O 0.000 0.000 0.500

440

Below is a description of a superconductor material.

The chemical formula is ScTaN2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.07 3.07 10.64 90 90 119 Sc 0.000 0.000 0.000 Sc 0.000 0.000 0.500 Ta 0.333 0.667 0.250 Ta 0.667 0.333 0.750 N 0.333 0.667 0.624 N 0.667 0.333 0.376 N 0.667 0.333 0.124 N 0.333 0.667 0.876

441

Below is a description of a superconductor material.

The chemical formula is Ti2GeC . The Tc_supercon is 0.24. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.10 3.10 12.96 90 90 119 Ti 0.667 0.333 0.411 Ti 0.333 0.667 0.589 Ti 0.333 0.667 0.911 Ti 0.667 0.333 0.089 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

442

Below is a description of a superconductor material.

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

2.91 2.93 4.19 110 90 90 Cr 0.750 0.146 0.292 Cr 0.250 0.854 0.708 B 0.750 0.436 0.872 B 0.250 0.564 0.128

443

Below is a description of a superconductor material.

The chemical formula is LiTiO2 . The Tc_supercon is 5.62. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.23 5.23 5.23 32 32 32 Li 0.500 0.500 0.500 Ti 0.000 0.000 0.000 O 0.253 0.253 0.253 O 0.747 0.747 0.747

444

Below is a description of a superconductor material.

The chemical formula is ZnClO . The Tc_supercon is 0.1. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.41 4.41 5.29 90 90 90 Zn 0.000 0.500 0.224 Zn 0.500 0.000 0.776 Cl 0.500 0.500 0.000 Cl 0.000 0.000 0.000 O 0.000 0.500 0.571 O 0.500 0.000 0.429

445

Below is a description of a superconductor material.

The chemical formula is Cr3PdN . The Tc_supercon is 12.95. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.83 3.83 3.83 90 90 90 Cr 0.500 0.000 0.500 Cr 0.000 0.500 0.500 Cr 0.500 0.500 0.000 Pd 0.000 0.000 0.000 N 0.500 0.500 0.500

446

Below is a description of a superconductor material.

The chemical formula is Hf2BeTc . The Tc_supercon is 0.87. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.55 4.55 4.55 120 120 89 Hf 0.000 0.000 0.000 Hf 0.500 0.500 0.000 Be 0.750 0.250 0.500 Tc 0.250 0.750 0.500

447

Below is a description of a superconductor material.

The chemical formula is P3Rh . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

7.01 7.01 7.01 109 109 109 P 0.494 0.140 0.355 P 0.140 0.645 0.785 P 0.355 0.215 0.860 P 0.860 0.645 0.506 P 0.645 0.785 0.140 P 0.860 0.355 0.215 P 0.645 0.506 0.860 P 0.355 0.494 0.140 P 0.140 0.355 0.494 P 0.785 0.140 0.645 P 0.215 0.860 0.355 P 0.506 0.860 0.645 Rh 0.500 0.500 0.500 Rh 0.000 0.500 -0.000 Rh 0.000 0.000 0.500 Rh 0.500 0.000 0.000

448

Below is a description of a superconductor material.

The chemical formula is NaGeF . The Tc_supercon is 5.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.94 2.94 7.15 90 90 90 Na 0.000 0.000 0.002 Ge 0.000 0.000 0.562 F 0.000 0.000 0.294

449

Below is a description of a superconductor material.

The chemical formula is RhO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.51 4.51 3.11 90 90 90 Rh 0.000 0.000 0.000 Rh 0.500 0.500 0.500 O 0.307 0.307 0.000 O 0.807 0.193 0.500 O 0.193 0.807 0.500 O 0.693 0.693 0.000

450

Below is a description of a superconductor material.

The chemical formula is Ba2LiSn . The Tc_supercon is 1.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.98 5.98 5.98 60 60 60 Ba 0.250 0.250 0.250 Ba 0.750 0.750 0.750 Li 0.000 0.000 0.000 Sn 0.500 0.500 0.500

451

Below is a description of a superconductor material.

The chemical formula is CaGa . The Tc_supercon is 1.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.04 4.41 6.06 90 109 90 Ca 0.646 0.250 0.291 Ca 0.354 0.750 0.709 Ga 0.930 0.250 0.860 Ga 0.070 0.750 0.140

452

Below is a description of a superconductor material.

The chemical formula is Nb3Os . The Tc_supercon is 0.44. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.59 4.59 4.59 60 60 60 Nb 0.250 0.250 0.250 Nb 0.750 0.750 0.750 Nb 0.500 0.500 0.500 Os 0.000 0.000 0.000

453

Below is a description of a superconductor material.

The chemical formula is LaS2 . The Tc_supercon is 3.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.34 4.36 5.78 90 89 90 La 0.467 0.000 0.133 S -0.033 0.000 -0.165 S -0.034 0.000 0.432

454

Below is a description of a superconductor material.

The chemical formula is MnBeRh2 . The Tc_supercon is 2.89. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.71 2.71 6.34 90 90 90 Mn 0.500 0.500 0.722 Be 0.000 0.000 0.503 Rh 0.000 0.000 0.978 Rh 0.500 0.500 0.297

455

Below is a description of a superconductor material.

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

4.45 4.45 4.45 90 90 90 Co 0.856 0.644 0.356 Co 0.644 0.356 0.856 Co 0.356 0.856 0.644 Co 0.144 0.144 0.144 Si 0.158 0.342 0.658 Si 0.342 0.658 0.158 Si 0.658 0.158 0.342 Si 0.842 0.842 0.842

456

Below is a description of a superconductor material.

The chemical formula is NaZnSe . The Tc_supercon is 10.52. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.05 3.05 8.00 90 90 90 Na 0.000 0.000 -0.099 Zn 0.000 0.000 0.551 Se 0.000 0.000 0.242

457

Below is a description of a superconductor material.

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

2.89 2.89 2.89 90 90 90 Al 0.500 0.500 0.500 Ni 0.000 0.000 0.000

458

Below is a description of a superconductor material.

The chemical formula is MoO2 . The Tc_supercon is 7.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.09 5.09 5.09 33 33 33 Mo 0.000 0.000 0.000 O 0.253 0.253 0.253 O 0.747 0.747 0.747

459

Below is a description of a superconductor material.

The chemical formula is Nb6C5 . The Tc_supercon is 2.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.53 5.52 5.52 80 70 59 Nb 0.736 0.000 0.736 Nb 0.264 0.000 0.264 Nb 0.435 0.648 0.747 Nb 0.917 0.648 0.253 Nb 0.565 0.352 0.253 Nb 0.083 0.352 0.747 C 0.500 0.000 0.500 C 0.335 0.330 0.000 C 0.665 0.670 0.000 C 0.167 0.667 0.500 C 0.833 0.333 0.500

460

Below is a description of a superconductor material.

The chemical formula is LiFeF . The Tc_supercon is 4.27. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.47 6.05 2.41 90 90 66 Li 0.012 -0.174 0.000 Fe -0.058 0.397 0.000 F 0.293 0.046 0.000

461

Below is a description of a superconductor material.

The chemical formula is HfScOs2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.57 4.57 4.57 60 60 60 Hf 0.250 0.250 0.250 Sc 0.750 0.750 0.750 Os 0.000 0.000 0.000 Os 0.500 0.500 0.500

462

Below is a description of a superconductor material.

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

7.02 4.11 3.29 90 90 54 Na -0.229 0.077 0.000 P 0.424 -0.076 0.000 S 0.078 0.271 0.000

463

Below is a description of a superconductor material.

The chemical formula is NaAlF3 . The Tc_supercon is 0.03. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.01 4.01 4.01 90 90 90 Na 0.000 0.000 0.000 Al 0.500 0.500 0.500 F 0.000 0.500 0.500 F 0.500 0.000 0.500 F 0.500 0.500 0.000

464

Below is a description of a superconductor material.

The chemical formula is HfO2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.04 3.32 3.73 90 90 90 Hf 0.590 0.000 -0.033 O -0.304 0.000 -0.533 O 0.113 0.000 -0.033

465

Below is a description of a superconductor material.

The chemical formula is ScRu . The Tc_supercon is 2.64. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.20 3.20 3.20 90 90 90 Sc 0.500 0.500 0.500 Ru 0.000 0.000 0.000

466

Below is a description of a superconductor material.

The chemical formula is NbIr3 . The Tc_supercon is 0.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.94 3.94 3.94 90 90 90 Nb 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

467

Below is a description of a superconductor material.

The chemical formula is TiBe2Se . The Tc_supercon is 6.2. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.19 3.19 5.17 90 90 90 Ti 0.500 0.500 0.743 Be 0.000 0.000 0.050 Be 0.500 0.500 0.213 Se 0.000 0.000 0.493

468

Below is a description of a superconductor material.

The chemical formula is Be2NiMo . The Tc_supercon is 0.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.63 2.63 6.11 90 90 90 Be 0.000 0.000 0.006 Be 0.500 0.500 0.201 Ni 0.500 0.500 0.804 Mo 0.000 0.000 0.489

469

Below is a description of a superconductor material.

The chemical formula is TaNbAl6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.85 3.85 8.61 90 90 90 Ta 0.500 0.500 0.500 Nb 0.000 0.000 0.000 Al 0.500 0.500 0.000 Al 0.000 0.000 0.500 Al 0.000 0.500 0.251 Al 0.500 0.000 0.749 Al 0.500 0.000 0.251 Al 0.000 0.500 0.749

470

Below is a description of a superconductor material.

The chemical formula is TiSe . The Tc_supercon is 5.66. 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

471

Below is a description of a superconductor material.

The chemical formula is ZrRh3 . The Tc_supercon is 0.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.96 3.96 3.96 90 90 90 Zr 0.000 0.000 0.000 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500

472

Below is a description of a superconductor material.

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

3.53 3.53 6.38 90 90 90 Mn 0.000 0.500 0.335 Mn 0.500 0.000 0.665 V 0.500 0.500 0.000 V 0.000 0.000 0.000 As 0.000 0.500 0.705 As 0.500 0.000 0.295

473

Below is a description of a superconductor material.

The chemical formula is MgNbO . The Tc_supercon is 5.69. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

6.58 2.91 2.95 90 90 63 Mg -0.145 -0.006 0.000 Nb 0.399 -0.049 0.000 O 0.072 0.278 0.000

474

Below is a description of a superconductor material.

The chemical formula is LiSc2Au . The Tc_supercon is 0.67. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.76 4.76 4.76 59 59 59 Li 0.750 0.750 0.750 Sc 1.000 1.000 1.000 Sc 0.500 0.500 0.500 Au 0.250 0.250 0.250

475

Below is a description of a superconductor material.

The chemical formula is YCoC2 . The Tc_supercon is 0.43. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.57 3.76 3.76 106 90 90 Y 0.000 0.997 0.003 Co 0.500 0.615 0.385 C 0.500 0.152 0.544 C 0.500 0.456 0.848

476

Below is a description of a superconductor material.

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

4.30 4.30 4.30 60 60 60 Mg 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Sb 0.000 0.000 0.000

477

Below is a description of a superconductor material.

The chemical formula is SiOF . The Tc_supercon is 7.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.57 3.57 2.69 90 90 120 Si 0.667 0.333 0.000 O 0.333 0.667 0.000 F 0.000 0.000 0.000

478

Below is a description of a superconductor material.

The chemical formula is BeTc2Rh . The Tc_supercon is 8.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.80 2.80 6.48 90 90 90 Be 0.000 0.000 0.512 Tc 0.000 0.000 0.004 Tc 0.500 0.500 0.274 Rh 0.500 0.500 0.710

479

Below is a description of a superconductor material.

The chemical formula is CaSi . The Tc_supercon is 0.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.91 4.54 5.81 112 90 90 Ca 0.250 0.861 0.722 Ca 0.750 0.139 0.278 Si 0.250 0.571 0.141 Si 0.750 0.429 0.859

480

Below is a description of a superconductor material.

The chemical formula is Be2FeSi . The Tc_supercon is 0.79. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.91 2.91 4.61 90 90 90 Be 0.000 0.000 0.771 Be 0.000 0.000 0.229 Fe 0.500 0.500 0.000 Si 0.500 0.500 0.500

481

Below is a description of a superconductor material.

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

2.91 2.91 7.36 90 90 119 Sc 0.000 0.000 0.500 Sc 0.000 0.000 0.000 B 0.333 0.667 0.750 B 0.667 0.333 0.250 C 0.333 0.667 0.250 C 0.667 0.333 0.750

482

Below is a description of a superconductor material.

The chemical formula is ZrN . The Tc_supercon is 9.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.25 3.25 3.25 60 60 60 Zr 0.500 0.500 0.500 N 0.000 0.000 0.000

483

Below is a description of a superconductor material.

The chemical formula is Y2Fe2Si2C . The Tc_supercon is 0.04. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.92 5.65 5.67 73 69 69 Y 0.440 0.825 0.294 Y 0.560 0.175 0.706 Fe 0.800 0.306 0.094 Fe 0.200 0.694 0.906 Si 0.836 0.610 0.718 Si 0.164 0.390 0.282 C 0.000 0.000 0.000

484

Below is a description of a superconductor material.

The chemical formula is Nb3Ru . The Tc_supercon is 1.14. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.58 4.58 4.58 60 60 60 Nb 0.000 0.000 0.000 Nb 0.500 0.500 0.500 Nb 0.250 0.250 0.250 Ru 0.750 0.750 0.750

485

Below is a description of a superconductor material.

The chemical formula is NbN . The Tc_supercon is 17.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.76 2.76 2.76 90 90 90 Nb 0.000 0.000 0.000 N 0.500 0.500 0.500

486

Below is a description of a superconductor material.

The chemical formula is BaCuCl2 . The Tc_supercon is 0.7. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.24 4.24 5.97 90 90 90 Ba 0.500 0.500 0.579 Cu 0.000 0.000 0.968 Cl 0.000 0.000 0.395 Cl 0.500 0.500 0.069

487

Below is a description of a superconductor material.

The chemical formula is CoSb . The Tc_supercon is 0.13. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.88 3.88 5.22 90 90 120 Co 0.000 0.000 0.000 Co 0.000 0.000 0.500 Sb 0.333 0.667 0.750 Sb 0.667 0.333 0.250

488

Below is a description of a superconductor material.

The chemical formula is Li2BS2 . The Tc_supercon is 4.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.59 3.59 6.10 90 90 119 Li 0.333 0.667 0.621 Li 0.667 0.333 0.379 B 0.000 0.000 0.000 S 0.333 0.667 0.211 S 0.667 0.333 0.789

489

Below is a description of a superconductor material.

The chemical formula is ScN . The Tc_supercon is 20.78. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.19 3.19 3.19 59 60 59 Sc 0.000 0.000 0.000 N 0.500 0.500 0.500

490

Below is a description of a superconductor material.

The chemical formula is TiZn2Pd . The Tc_supercon is 2.15. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.37 4.37 4.37 60 60 60 Ti 0.000 0.000 0.000 Zn 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Pd 0.500 0.500 0.500

491

Below is a description of a superconductor material.

The chemical formula is VPt . The Tc_supercon is 1.39. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.83 3.83 3.90 90 90 90 V 0.500 0.000 0.500 V 0.000 0.500 0.500 Pt 0.500 0.500 0.000 Pt 0.000 0.000 0.000

492

Below is a description of a superconductor material.

The chemical formula is Sc2GaTc . The Tc_supercon is 0.5. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.63 4.63 4.63 60 60 60 Sc 0.000 1.000 0.000 Sc 0.500 0.500 0.500 Ga 0.250 0.250 0.250 Tc 0.750 0.750 0.750

493

Below is a description of a superconductor material.

The chemical formula is CrP2 . The Tc_supercon is 0.23. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.05 4.39 6.40 79 76 69 Cr 0.843 0.610 0.704 Cr 0.157 0.390 0.296 P 0.145 0.741 0.970 P 0.855 0.259 0.030 P 0.400 0.800 0.401 P 0.600 0.200 0.599

494

Below is a description of a superconductor material.

The chemical formula is ZnNF2 . The Tc_supercon is 6.12. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.34 3.34 3.92 90 90 90 Zn 0.500 0.500 0.750 N 0.000 0.000 0.687 F 0.000 0.000 0.334 F 0.500 0.500 0.239

495

Below is a description of a superconductor material.

The chemical formula is TiCdO3 . The Tc_supercon is 1.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.88 3.88 3.88 90 90 90 Ti 0.500 0.500 0.500 Cd 0.000 0.000 0.000 O 0.500 0.500 0.000 O 0.500 0.000 0.500 O 0.000 0.500 0.500

496

Below is a description of a superconductor material.

The chemical formula is YGa2 . The Tc_supercon is 2.01. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.20 4.20 4.10 90 90 120 Y 0.000 0.000 0.000 Ga 0.333 0.667 0.500 Ga 0.667 0.333 0.500

497

Below is a description of a superconductor material.

The chemical formula is Sc2AlAg . The Tc_supercon is 2.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.84 4.84 4.84 60 60 60 Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 Al 0.750 0.750 0.750 Ag 0.250 0.250 0.250

498

Below is a description of a superconductor material.

The chemical formula is ZrInNi2 . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.46 4.46 4.46 60 60 60 Zr 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

499