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 ScBe2Cu . The Tc_supercon is 3.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.15 4.15 4.15 120 120 89 Sc 0.750 0.250 0.500 Be 0.000 0.000 0.000 Be 0.250 0.750 0.500 Cu 0.500 0.500 0.000	900
Below is a description of a superconductor material.	The chemical formula is ZnSiO3 . The Tc_supercon is 3.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.54 3.54 3.54 90 90 90 Zn 0.000 0.000 0.000 Si 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	901
Below is a description of a superconductor material.	The chemical formula is CdBO2 . The Tc_supercon is 2.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.65 2.65 6.16 90 90 90 Cd 0.500 0.500 0.579 B 0.000 0.000 0.105 O 0.000 0.000 0.316 O 0.500 0.500 0.009	902
Below is a description of a superconductor material.	The chemical formula is MgRuH3 . The Tc_supercon is 14.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.47 3.47 3.47 90 90 90 Mg 0.000 0.000 0.000 Ru 0.500 0.500 0.500 H 0.500 0.500 0.000 H 0.500 0.000 0.500 H 0.000 0.500 0.500	903
Below is a description of a superconductor material.	The chemical formula is MnBe2 . The Tc_supercon is 0.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.15 4.15 6.75 90 90 119 Mn 0.333 0.667 0.061 Mn 0.667 0.333 0.561 Mn 0.667 0.333 0.939 Mn 0.333 0.667 0.439 Be 0.000 0.000 0.000 Be 0.000 0.000 0.500 Be 0.830 0.660 0.250 Be 0.170 0.830 0.750 Be 0.660 0.830 0.750 Be 0.340 0.170 0.250 Be 0.830 0.170 0.250 Be 0.170 0.340 0.750	904
Below is a description of a superconductor material.	The chemical formula is YB2 . The Tc_supercon is 4.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.29 3.29 3.87 90 90 120 Y 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500	905
Below is a description of a superconductor material.	The chemical formula is NaTiO2 . The Tc_supercon is 5.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.93 2.93 5.54 90 90 90 Na 0.000 0.000 0.301 Ti 0.500 0.500 0.829 O 0.000 0.000 0.725 O 0.500 0.500 0.146	906
Below is a description of a superconductor material.	The chemical formula is Sc2FeSi2 . The Tc_supercon is 0.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.98 5.33 8.54 82 76 68 Sc 0.815 0.263 0.107 Sc 0.001 0.670 0.328 Sc 0.185 0.737 0.893 Sc 0.999 0.330 0.672 Fe 0.729 0.916 0.627 Fe 0.271 0.084 0.373 Si 0.492 0.143 0.874 Si 0.353 0.729 0.566 Si 0.508 0.857 0.126 Si 0.647 0.271 0.434	907
Below is a description of a superconductor material.	The chemical formula is Ba2YTi3O8 . The Tc_supercon is 0.89. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.99 3.99 11.49 90 90 90 Ba 0.500 0.500 0.171 Ba 0.500 0.500 0.829 Y 0.500 0.500 0.500 Ti 0.000 0.000 0.354 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.646 O 0.000 0.500 0.373 O 0.500 0.000 0.373 O 0.500 0.000 -0.000 O 0.000 0.000 0.183 O 0.000 0.500 0.627 O 0.500 0.000 0.627 O 0.000 0.000 0.817 O 0.000 0.500 -0.000	908
Below is a description of a superconductor material.	The chemical formula is V6CoRh . The Tc_supercon is 2.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.71 4.71 4.71 90 90 90 V 0.000 0.500 0.745 V 0.500 0.255 0.000 V 0.745 0.000 0.500 V 0.000 0.500 0.255 V 0.500 0.745 0.000 V 0.255 0.000 0.500 Co 0.500 0.500 0.500 Rh 0.000 0.000 0.000	909
Below is a description of a superconductor material.	The chemical formula is SrB6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.19 4.19 4.19 90 90 90 Sr 0.000 0.000 0.000 B 0.203 0.500 0.500 B 0.500 0.500 0.797 B 0.500 0.500 0.203 B 0.500 0.203 0.500 B 0.500 0.797 0.500 B 0.797 0.500 0.500	910
Below is a description of a superconductor material.	The chemical formula is MgNi . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.97 2.97 3.15 90 90 90 Mg 0.000 0.000 0.000 Ni 0.500 0.500 0.500	911
Below is a description of a superconductor material.	The chemical formula is CrH . The Tc_supercon is 10.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.67 2.67 2.67 60 60 60 Cr 0.000 0.000 0.000 H 0.500 0.500 0.500	912
Below is a description of a superconductor material.	The chemical formula is NbPO . The Tc_supercon is 2.65. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.90 5.10 2.80 90 90 89 Nb 0.913 -0.104 0.000 P -0.083 0.396 0.000 O -0.586 -0.104 0.000	913
Below is a description of a superconductor material.	The chemical formula is MgVRu2 . The Tc_supercon is 3.82. 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 V 0.000 0.000 0.000 Ru 0.250 0.250 0.250 Ru 0.750 0.750 0.750	914
Below is a description of a superconductor material.	The chemical formula is NbPO2 . The Tc_supercon is 7.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.13 3.13 5.53 90 90 90 Nb 0.500 0.500 0.503 P 0.000 0.000 0.837 O 0.000 0.000 0.490 O 0.500 0.500 0.180	915
Below is a description of a superconductor material.	The chemical formula is NbOF . The Tc_supercon is 7.11. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.77 3.77 2.85 90 90 120 Nb 0.333 0.667 0.000 O 0.667 0.333 0.000 F 0.000 0.000 0.000	916
Below is a description of a superconductor material.	The chemical formula is HfBeP . The Tc_supercon is 4.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.05 3.58 3.03 90 90 110 Hf 0.430 0.084 0.000 Be -0.182 -0.222 0.000 P 0.023 0.380 0.000	917
Below is a description of a superconductor material.	The chemical formula is ScCu . The Tc_supercon is 2.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.24 3.24 3.24 90 90 90 Sc 0.500 0.500 0.500 Cu 0.000 0.000 0.000	918
Below is a description of a superconductor material.	The chemical formula is YBRh3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.20 4.20 4.20 90 90 90 Y 0.000 0.000 0.000 B 0.500 0.500 0.500 Rh 0.500 0.000 0.500 Rh 0.500 0.500 0.000 Rh 0.000 0.500 0.500	919
Below is a description of a superconductor material.	The chemical formula is SrCuO3 . The Tc_supercon is 6.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.87 3.87 3.87 90 90 90 Sr 0.500 0.500 0.500 Cu 0.000 0.000 0.000 O 0.500 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500	920
Below is a description of a superconductor material.	The chemical formula is LiSbO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.91 3.91 3.91 90 90 90 Li 0.000 0.000 0.000 Sb 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	921
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 6.78 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	922
Below is a description of a superconductor material.	The chemical formula is YCI . The Tc_supercon is 6.48. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.90 4.13 10.48 93 90 118 Y 0.146 0.292 0.132 Y 0.854 0.708 0.868 C 0.576 0.153 0.969 C 0.424 0.847 0.031 I 0.173 0.346 0.667 I 0.827 0.654 0.333	923
Below is a description of a superconductor material.	The chemical formula is Be2PdRh . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.81 2.81 5.59 90 90 90 Be 0.000 0.000 0.731 Be 0.000 0.000 0.269 Pd 0.500 0.500 0.000 Rh 0.500 0.500 0.500	924
Below is a description of a superconductor material.	The chemical formula is LiAsRh2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.20 4.20 4.20 60 60 60 Li 0.750 0.750 0.750 As 0.250 0.250 0.250 Rh 0.000 0.000 0.000 Rh 0.500 0.500 0.500	925
Below is a description of a superconductor material.	The chemical formula is Al2Pd . The Tc_supercon is 0.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.21 4.21 4.21 60 60 59 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 Pd 0.000 0.000 0.000	926
Below is a description of a superconductor material.	The chemical formula is TiO . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.82 2.82 2.83 90 90 119 Ti 0.666 0.331 0.990 O 0.999 0.998 0.490	927
Below is a description of a superconductor material.	The chemical formula is TiCu . The Tc_supercon is 0.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.12 3.12 5.91 90 90 90 Ti 0.500 0.000 0.357 Ti 0.000 0.500 0.643 Cu 0.500 0.000 0.889 Cu 0.000 0.500 0.111	928
Below is a description of a superconductor material.	The chemical formula is La . The Tc_supercon is 5.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.74 3.74 11.99 90 90 119 La 0.000 0.000 0.000 La 0.000 0.000 0.500 La 0.667 0.333 0.750 La 0.333 0.667 0.250	929
Below is a description of a superconductor material.	The chemical formula is Be2GeIr . The Tc_supercon is 6.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.16 3.16 4.84 90 90 90 Be 0.000 0.000 0.007 Be 0.500 0.500 0.239 Ge 0.000 0.000 0.485 Ir 0.500 0.500 0.769	930
Below is a description of a superconductor material.	The chemical formula is VIr3 . The Tc_supercon is 2.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.84 3.84 3.84 90 90 90 V 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	931
Below is a description of a superconductor material.	The chemical formula is V2TcRu . The Tc_supercon is 12.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.26 4.26 4.26 60 60 60 V 0.500 0.500 0.500 V 0.000 0.000 0.000 Tc 0.750 0.750 0.750 Ru 0.250 0.250 0.250	932
Below is a description of a superconductor material.	The chemical formula is Ta2N . The Tc_supercon is 4.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.10 3.10 4.90 90 90 119 Ta 0.667 0.333 0.257 Ta 0.333 0.667 0.743 N 0.000 0.000 0.000	933
Below is a description of a superconductor material.	The chemical formula is CrIr . The Tc_supercon is 2.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.69 2.69 4.21 90 90 120 Cr 0.667 0.333 0.000 Ir 0.333 0.667 0.500	934
Below is a description of a superconductor material.	The chemical formula is NbN . The Tc_supercon is 11.99. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.16 3.16 3.16 60 60 60 Nb 0.500 0.500 0.500 N 0.000 0.000 0.000	935
Below is a description of a superconductor material.	The chemical formula is FeS . The Tc_supercon is 15.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.34 3.34 5.11 90 90 120 Fe 0.000 0.000 0.000 Fe 0.000 0.000 0.500 S 0.333 0.667 0.750 S 0.667 0.333 0.250	936
Below is a description of a superconductor material.	The chemical formula is CaGaO2 . The Tc_supercon is 1.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.29 3.29 4.90 90 90 90 Ca 0.500 0.500 0.521 Ga 0.000 0.000 0.040 O 0.000 0.000 0.441 O 0.500 0.500 0.007	937
Below is a description of a superconductor material.	The chemical formula is HfZnCo2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.23 4.23 4.23 59 59 59 Hf 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Co 0.000 0.000 0.000 Co 0.500 0.500 0.500	938
Below is a description of a superconductor material.	The chemical formula is V6CoIr . The Tc_supercon is 2.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.72 4.72 4.72 90 90 90 V 0.000 0.500 0.745 V 0.500 0.255 0.000 V 0.745 0.000 0.500 V 0.000 0.500 0.255 V 0.500 0.745 0.000 V 0.255 0.000 0.500 Co 0.500 0.500 0.500 Ir 0.000 0.000 0.000	939
Below is a description of a superconductor material.	The chemical formula is ClF2 . The Tc_supercon is 3.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.22 2.69 3.58 90 95 90 Cl 0.467 0.000 -0.200 F -0.235 0.000 -0.502 F 0.169 0.000 0.102	940
Below is a description of a superconductor material.	The chemical formula is Be2CdRu . The Tc_supercon is 0.9. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	2.99 2.99 5.72 90 90 90 Be 0.000 0.000 0.683 Be 0.000 0.000 0.317 Cd 0.500 0.500 0.000 Ru 0.500 0.500 0.500	941
Below is a description of a superconductor material.	The chemical formula is BaGaH . The Tc_supercon is 1.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.85 4.90 3.71 90 90 44 Ba 0.458 -0.036 0.000 Ga -0.042 -0.053 0.000 H -0.042 0.301 0.000	942
Below is a description of a superconductor material.	The chemical formula is LiF2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.11 2.84 3.78 90 90 90 Li 0.467 0.000 0.133 F -0.033 0.000 -0.611 F -0.033 0.000 0.878	943
Below is a description of a superconductor material.	The chemical formula is TeRh . The Tc_supercon is 3.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.07 4.07 5.73 90 90 119 Te 0.667 0.333 0.750 Te 0.333 0.667 0.250 Rh 0.000 0.000 0.000 Rh 0.000 0.000 0.500	944
Below is a description of a superconductor material.	The chemical formula is BeSiIr2 . The Tc_supercon is 0.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.10 4.10 4.10 60 60 60 Be 0.250 0.250 0.250 Si 0.750 0.750 0.750 Ir 0.000 0.000 0.000 Ir 0.500 0.500 0.500	945
Below is a description of a superconductor material.	The chemical formula is Sc3Al . The Tc_supercon is 2.53. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.40 4.40 4.40 90 90 90 Sc 0.500 0.000 0.500 Sc 0.000 0.500 0.500 Sc 0.500 0.500 0.000 Al 0.000 0.000 0.000	946
Below is a description of a superconductor material.	The chemical formula is CdGeO3 . The Tc_supercon is 0.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.78 3.78 3.78 90 90 90 Cd 0.000 0.000 0.000 Ge 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	947
Below is a description of a superconductor material.	The chemical formula is ScNi2Sn . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.42 4.42 4.42 59 60 60 Sc 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750 Sn 0.500 0.500 0.500	948
Below is a description of a superconductor material.	The chemical formula is MgAl2 . The Tc_supercon is 2.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	3.02 3.02 7.07 90 90 120 Mg 0.000 0.000 0.000 Al 0.333 0.667 0.657 Al 0.667 0.333 0.343	949
Below is a description of a superconductor material.	The chemical formula is NaNbO . The Tc_supercon is 5.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	6.53 3.00 2.92 90 90 90 Na 0.374 0.070 0.000 Nb -0.145 -0.430 0.000 O 0.130 0.570 0.000	950
Below is a description of a superconductor material.	The chemical formula is AsO3 . The Tc_supercon is 2.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	5.22 4.57 3.52 41 78 65 As 0.045 0.922 -0.046 O 0.127 0.364 0.194 O 0.657 0.197 0.488 O 0.498 0.622 0.288	951
Below is a description of a superconductor material.	The chemical formula is Ni2B . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.	4.12 4.12 4.12 105 105 117 Ni 0.920 0.580 -0.000 Ni 0.080 0.080 0.661 Ni 0.580 0.920 0.000 Ni 0.420 0.420 0.339 B 0.500 -0.000 0.500 B 0.000 0.500 0.500	952

Below is a description of a superconductor material.

The chemical formula is ScBe2Cu . The Tc_supercon is 3.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.15 4.15 4.15 120 120 89 Sc 0.750 0.250 0.500 Be 0.000 0.000 0.000 Be 0.250 0.750 0.500 Cu 0.500 0.500 0.000

900

Below is a description of a superconductor material.

The chemical formula is ZnSiO3 . The Tc_supercon is 3.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.54 3.54 3.54 90 90 90 Zn 0.000 0.000 0.000 Si 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

901

Below is a description of a superconductor material.

The chemical formula is CdBO2 . The Tc_supercon is 2.32. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.65 2.65 6.16 90 90 90 Cd 0.500 0.500 0.579 B 0.000 0.000 0.105 O 0.000 0.000 0.316 O 0.500 0.500 0.009

902

Below is a description of a superconductor material.

The chemical formula is MgRuH3 . The Tc_supercon is 14.35. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.47 3.47 3.47 90 90 90 Mg 0.000 0.000 0.000 Ru 0.500 0.500 0.500 H 0.500 0.500 0.000 H 0.500 0.000 0.500 H 0.000 0.500 0.500

903

Below is a description of a superconductor material.

The chemical formula is MnBe2 . The Tc_supercon is 0.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.15 4.15 6.75 90 90 119 Mn 0.333 0.667 0.061 Mn 0.667 0.333 0.561 Mn 0.667 0.333 0.939 Mn 0.333 0.667 0.439 Be 0.000 0.000 0.000 Be 0.000 0.000 0.500 Be 0.830 0.660 0.250 Be 0.170 0.830 0.750 Be 0.660 0.830 0.750 Be 0.340 0.170 0.250 Be 0.830 0.170 0.250 Be 0.170 0.340 0.750

904

Below is a description of a superconductor material.

The chemical formula is YB2 . The Tc_supercon is 4.42. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.29 3.29 3.87 90 90 120 Y 0.000 0.000 0.000 B 0.333 0.667 0.500 B 0.667 0.333 0.500

905

Below is a description of a superconductor material.

The chemical formula is NaTiO2 . The Tc_supercon is 5.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.93 2.93 5.54 90 90 90 Na 0.000 0.000 0.301 Ti 0.500 0.500 0.829 O 0.000 0.000 0.725 O 0.500 0.500 0.146

906

Below is a description of a superconductor material.

The chemical formula is Sc2FeSi2 . The Tc_supercon is 0.33. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.98 5.33 8.54 82 76 68 Sc 0.815 0.263 0.107 Sc 0.001 0.670 0.328 Sc 0.185 0.737 0.893 Sc 0.999 0.330 0.672 Fe 0.729 0.916 0.627 Fe 0.271 0.084 0.373 Si 0.492 0.143 0.874 Si 0.353 0.729 0.566 Si 0.508 0.857 0.126 Si 0.647 0.271 0.434

907

Below is a description of a superconductor material.

The chemical formula is Ba2YTi3O8 . The Tc_supercon is 0.89. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.99 3.99 11.49 90 90 90 Ba 0.500 0.500 0.171 Ba 0.500 0.500 0.829 Y 0.500 0.500 0.500 Ti 0.000 0.000 0.354 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.646 O 0.000 0.500 0.373 O 0.500 0.000 0.373 O 0.500 0.000 -0.000 O 0.000 0.000 0.183 O 0.000 0.500 0.627 O 0.500 0.000 0.627 O 0.000 0.000 0.817 O 0.000 0.500 -0.000

908

Below is a description of a superconductor material.

The chemical formula is V6CoRh . The Tc_supercon is 2.88. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.71 4.71 4.71 90 90 90 V 0.000 0.500 0.745 V 0.500 0.255 0.000 V 0.745 0.000 0.500 V 0.000 0.500 0.255 V 0.500 0.745 0.000 V 0.255 0.000 0.500 Co 0.500 0.500 0.500 Rh 0.000 0.000 0.000

909

Below is a description of a superconductor material.

The chemical formula is SrB6 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.19 4.19 4.19 90 90 90 Sr 0.000 0.000 0.000 B 0.203 0.500 0.500 B 0.500 0.500 0.797 B 0.500 0.500 0.203 B 0.500 0.203 0.500 B 0.500 0.797 0.500 B 0.797 0.500 0.500

910

Below is a description of a superconductor material.

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

2.97 2.97 3.15 90 90 90 Mg 0.000 0.000 0.000 Ni 0.500 0.500 0.500

911

Below is a description of a superconductor material.

The chemical formula is CrH . The Tc_supercon is 10.68. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.67 2.67 2.67 60 60 60 Cr 0.000 0.000 0.000 H 0.500 0.500 0.500

912

Below is a description of a superconductor material.

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

3.90 5.10 2.80 90 90 89 Nb 0.913 -0.104 0.000 P -0.083 0.396 0.000 O -0.586 -0.104 0.000

913

Below is a description of a superconductor material.

The chemical formula is MgVRu2 . The Tc_supercon is 3.82. 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 V 0.000 0.000 0.000 Ru 0.250 0.250 0.250 Ru 0.750 0.750 0.750

914

Below is a description of a superconductor material.

The chemical formula is NbPO2 . The Tc_supercon is 7.74. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.13 3.13 5.53 90 90 90 Nb 0.500 0.500 0.503 P 0.000 0.000 0.837 O 0.000 0.000 0.490 O 0.500 0.500 0.180

915

Below is a description of a superconductor material.

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

3.77 3.77 2.85 90 90 120 Nb 0.333 0.667 0.000 O 0.667 0.333 0.000 F 0.000 0.000 0.000

916

Below is a description of a superconductor material.

The chemical formula is HfBeP . The Tc_supercon is 4.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.05 3.58 3.03 90 90 110 Hf 0.430 0.084 0.000 Be -0.182 -0.222 0.000 P 0.023 0.380 0.000

917

Below is a description of a superconductor material.

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

3.24 3.24 3.24 90 90 90 Sc 0.500 0.500 0.500 Cu 0.000 0.000 0.000

918

Below is a description of a superconductor material.

The chemical formula is YBRh3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.20 4.20 4.20 90 90 90 Y 0.000 0.000 0.000 B 0.500 0.500 0.500 Rh 0.500 0.000 0.500 Rh 0.500 0.500 0.000 Rh 0.000 0.500 0.500

919

Below is a description of a superconductor material.

The chemical formula is SrCuO3 . The Tc_supercon is 6.56. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.87 3.87 3.87 90 90 90 Sr 0.500 0.500 0.500 Cu 0.000 0.000 0.000 O 0.500 0.000 0.000 O 0.000 0.500 0.000 O 0.000 0.000 0.500

920

Below is a description of a superconductor material.

The chemical formula is LiSbO3 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.91 3.91 3.91 90 90 90 Li 0.000 0.000 0.000 Sb 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

921

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 6.78 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

922

Below is a description of a superconductor material.

The chemical formula is YCI . The Tc_supercon is 6.48. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.90 4.13 10.48 93 90 118 Y 0.146 0.292 0.132 Y 0.854 0.708 0.868 C 0.576 0.153 0.969 C 0.424 0.847 0.031 I 0.173 0.346 0.667 I 0.827 0.654 0.333

923

Below is a description of a superconductor material.

The chemical formula is Be2PdRh . The Tc_supercon is 0.06. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.81 2.81 5.59 90 90 90 Be 0.000 0.000 0.731 Be 0.000 0.000 0.269 Pd 0.500 0.500 0.000 Rh 0.500 0.500 0.500

924

Below is a description of a superconductor material.

The chemical formula is LiAsRh2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.20 4.20 4.20 60 60 60 Li 0.750 0.750 0.750 As 0.250 0.250 0.250 Rh 0.000 0.000 0.000 Rh 0.500 0.500 0.500

925

Below is a description of a superconductor material.

The chemical formula is Al2Pd . The Tc_supercon is 0.6. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.21 4.21 4.21 60 60 59 Al 0.250 0.250 0.250 Al 0.750 0.750 0.750 Pd 0.000 0.000 0.000

926

Below is a description of a superconductor material.

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

2.82 2.82 2.83 90 90 119 Ti 0.666 0.331 0.990 O 0.999 0.998 0.490

927

Below is a description of a superconductor material.

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

3.12 3.12 5.91 90 90 90 Ti 0.500 0.000 0.357 Ti 0.000 0.500 0.643 Cu 0.500 0.000 0.889 Cu 0.000 0.500 0.111

928

Below is a description of a superconductor material.

The chemical formula is La . The Tc_supercon is 5.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.74 3.74 11.99 90 90 119 La 0.000 0.000 0.000 La 0.000 0.000 0.500 La 0.667 0.333 0.750 La 0.333 0.667 0.250

929

Below is a description of a superconductor material.

The chemical formula is Be2GeIr . The Tc_supercon is 6.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.16 3.16 4.84 90 90 90 Be 0.000 0.000 0.007 Be 0.500 0.500 0.239 Ge 0.000 0.000 0.485 Ir 0.500 0.500 0.769

930

Below is a description of a superconductor material.

The chemical formula is VIr3 . The Tc_supercon is 2.57. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.84 3.84 3.84 90 90 90 V 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

931

Below is a description of a superconductor material.

The chemical formula is V2TcRu . The Tc_supercon is 12.34. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.26 4.26 4.26 60 60 60 V 0.500 0.500 0.500 V 0.000 0.000 0.000 Tc 0.750 0.750 0.750 Ru 0.250 0.250 0.250

932

Below is a description of a superconductor material.

The chemical formula is Ta2N . The Tc_supercon is 4.75. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.10 3.10 4.90 90 90 119 Ta 0.667 0.333 0.257 Ta 0.333 0.667 0.743 N 0.000 0.000 0.000

933

Below is a description of a superconductor material.

The chemical formula is CrIr . The Tc_supercon is 2.02. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.69 2.69 4.21 90 90 120 Cr 0.667 0.333 0.000 Ir 0.333 0.667 0.500

934

Below is a description of a superconductor material.

The chemical formula is NbN . The Tc_supercon is 11.99. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.16 3.16 3.16 60 60 60 Nb 0.500 0.500 0.500 N 0.000 0.000 0.000

935

Below is a description of a superconductor material.

The chemical formula is FeS . The Tc_supercon is 15.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.34 3.34 5.11 90 90 120 Fe 0.000 0.000 0.000 Fe 0.000 0.000 0.500 S 0.333 0.667 0.750 S 0.667 0.333 0.250

936

Below is a description of a superconductor material.

The chemical formula is CaGaO2 . The Tc_supercon is 1.09. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.29 3.29 4.90 90 90 90 Ca 0.500 0.500 0.521 Ga 0.000 0.000 0.040 O 0.000 0.000 0.441 O 0.500 0.500 0.007

937

Below is a description of a superconductor material.

The chemical formula is HfZnCo2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.23 4.23 4.23 59 59 59 Hf 0.250 0.250 0.250 Zn 0.750 0.750 0.750 Co 0.000 0.000 0.000 Co 0.500 0.500 0.500

938

Below is a description of a superconductor material.

The chemical formula is V6CoIr . The Tc_supercon is 2.19. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.72 4.72 4.72 90 90 90 V 0.000 0.500 0.745 V 0.500 0.255 0.000 V 0.745 0.000 0.500 V 0.000 0.500 0.255 V 0.500 0.745 0.000 V 0.255 0.000 0.500 Co 0.500 0.500 0.500 Ir 0.000 0.000 0.000

939

Below is a description of a superconductor material.

The chemical formula is ClF2 . The Tc_supercon is 3.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.22 2.69 3.58 90 95 90 Cl 0.467 0.000 -0.200 F -0.235 0.000 -0.502 F 0.169 0.000 0.102

940

Below is a description of a superconductor material.

The chemical formula is Be2CdRu . The Tc_supercon is 0.9. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

2.99 2.99 5.72 90 90 90 Be 0.000 0.000 0.683 Be 0.000 0.000 0.317 Cd 0.500 0.500 0.000 Ru 0.500 0.500 0.500

941

Below is a description of a superconductor material.

The chemical formula is BaGaH . The Tc_supercon is 1.22. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

6.85 4.90 3.71 90 90 44 Ba 0.458 -0.036 0.000 Ga -0.042 -0.053 0.000 H -0.042 0.301 0.000

942

Below is a description of a superconductor material.

The chemical formula is LiF2 . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.11 2.84 3.78 90 90 90 Li 0.467 0.000 0.133 F -0.033 0.000 -0.611 F -0.033 0.000 0.878

943

Below is a description of a superconductor material.

The chemical formula is TeRh . The Tc_supercon is 3.83. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.07 4.07 5.73 90 90 119 Te 0.667 0.333 0.750 Te 0.333 0.667 0.250 Rh 0.000 0.000 0.000 Rh 0.000 0.000 0.500

944

Below is a description of a superconductor material.

The chemical formula is BeSiIr2 . The Tc_supercon is 0.36. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.10 4.10 4.10 60 60 60 Be 0.250 0.250 0.250 Si 0.750 0.750 0.750 Ir 0.000 0.000 0.000 Ir 0.500 0.500 0.500

945

Below is a description of a superconductor material.

The chemical formula is Sc3Al . The Tc_supercon is 2.53. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.40 4.40 4.40 90 90 90 Sc 0.500 0.000 0.500 Sc 0.000 0.500 0.500 Sc 0.500 0.500 0.000 Al 0.000 0.000 0.000

946

Below is a description of a superconductor material.

The chemical formula is CdGeO3 . The Tc_supercon is 0.77. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.78 3.78 3.78 90 90 90 Cd 0.000 0.000 0.000 Ge 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

947

Below is a description of a superconductor material.

The chemical formula is ScNi2Sn . The Tc_supercon is 0.16. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.42 4.42 4.42 59 60 60 Sc 0.000 0.000 0.000 Ni 0.250 0.250 0.250 Ni 0.750 0.750 0.750 Sn 0.500 0.500 0.500

948

Below is a description of a superconductor material.

The chemical formula is MgAl2 . The Tc_supercon is 2.97. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

3.02 3.02 7.07 90 90 120 Mg 0.000 0.000 0.000 Al 0.333 0.667 0.657 Al 0.667 0.333 0.343

949

Below is a description of a superconductor material.

The chemical formula is NaNbO . The Tc_supercon is 5.58. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

6.53 3.00 2.92 90 90 90 Na 0.374 0.070 0.000 Nb -0.145 -0.430 0.000 O 0.130 0.570 0.000

950

Below is a description of a superconductor material.

The chemical formula is AsO3 . The Tc_supercon is 2.92. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

5.22 4.57 3.52 41 78 65 As 0.045 0.922 -0.046 O 0.127 0.364 0.194 O 0.657 0.197 0.488 O 0.498 0.622 0.288

951

Below is a description of a superconductor material.

The chemical formula is Ni2B . The Tc_supercon is 0.0. Generate atomic structure description with lattice lengths, angles, coordinates and atom types.

4.12 4.12 4.12 105 105 117 Ni 0.920 0.580 -0.000 Ni 0.080 0.080 0.661 Ni 0.580 0.920 0.000 Ni 0.420 0.420 0.339 B 0.500 -0.000 0.500 B 0.000 0.500 0.500

952