output stringlengths 692 1.73k ⌀ | instruction float64 | input stringlengths 102 139 |
|---|---|---|
# generated using pymatgen
data_GdIn2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53306009
_cell_length_b 5.53306009
_cell_length_c 8.03055600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.26394849
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is GdIn2Rh e_above_hull is 0.0 and spacegroup is 63. Generate the CIF file for this compound. |
# generated using pymatgen
data_TbInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96198890
_cell_length_b 4.96198890
_cell_length_c 4.96198890
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is TbInAu2 e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_TlGeCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32810371
_cell_length_b 5.32810371
_cell_length_c 5.32192970
_cell_angle_alpha 89.22621218
_cell_angle_beta 89.22621218
_cell_angle_gamma 89.16190864
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is TlGeCl3 e_above_hull is 0.0327651059999993 and spacegroup is 8. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li5Mn3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88015006
_cell_length_b 5.88015006
_cell_length_c 5.16563589
_cell_angle_alpha 71.56786123
_cell_angle_beta 71.56786123
_cell_angle_gamma 58.54965346
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Li5Mn3O8 e_above_hull is 0.0363525421875001 and spacegroup is 12. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ti2CrIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34079559
_cell_length_b 4.34079559
_cell_length_c 4.34079559
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Ti2CrIr e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_LaYO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91593300
_cell_length_b 6.12355700
_cell_length_c 8.61089700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | null | Description: formula is LaYO3 e_above_hull is 0.039025028000001 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_Cs(WO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44280516
_cell_length_b 7.44280516
_cell_length_c 7.44280516
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Cs(WO3)2 e_above_hull is 0.0049950444444402 and spacegroup is 227. Generate the CIF file for this compound. |
# generated using pymatgen
data_Al4Ni12C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67037900
_cell_length_b 3.67037900
_cell_length_c 14.04846100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Al4Ni12C e_above_hull is 0.0381863617647058 and spacegroup is 123. Generate the CIF file for this compound. |
# generated using pymatgen
data_LaY
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.85438954
_cell_length_b 17.85438954
_cell_length_c 17.85438913
_cell_angle_alpha 11.85217895
_cell_angle_beta 11.85217895
_cell_angle_gamma 11.85218099
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is LaY e_above_hull is 0.0358763474999994 and spacegroup is 160. Generate the CIF file for this compound. |
# generated using pymatgen
data_InCu6ClO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52287338
_cell_length_b 6.52287338
_cell_length_c 6.52287338
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is InCu6ClO8 e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sr4Zr3TiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79640100
_cell_length_b 5.82518929
_cell_length_c 8.20686378
_cell_angle_alpha 89.99998516
_cell_angle_beta 89.97495755
_cell_angle_gamma 89.98202004
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Sr4Zr3TiO12 e_above_hull is 0.0154025696250013 and spacegroup is 2. Generate the CIF file for this compound. |
# generated using pymatgen
data_K2HfF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71594548
_cell_length_b 6.71594548
_cell_length_c 6.96574223
_cell_angle_alpha 89.94474395
_cell_angle_beta 89.94474395
_cell_angle_gamma 120.67860419
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is K2HfF6 e_above_hull is 0.0 and spacegroup is 15. Generate the CIF file for this compound. |
# generated using pymatgen
data_EuCoGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84696802
_cell_length_b 5.84696802
_cell_length_c 5.84696802
_cell_angle_alpha 136.41681955
_cell_angle_beta 136.41681955
_cell_angle_gamma 63.33657978
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is EuCoGe3 e_above_hull is 0.0 and spacegroup is 107. Generate the CIF file for this compound. |
# generated using pymatgen
data_DyLuRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76304158
_cell_length_b 4.76304158
_cell_length_c 4.76304158
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is DyLuRu2 e_above_hull is 0.0108642563281247 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_NdZn2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84477747
_cell_length_b 4.84477747
_cell_length_c 4.84477747
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is NdZn2Ag e_above_hull is 0.0244548812990204 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_PaAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29391724
_cell_length_b 6.29391724
_cell_length_c 4.58135400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999201
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is PaAl3 e_above_hull is 0.0 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sr5Al9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.38318165
_cell_length_b 12.38318165
_cell_length_c 12.38318275
_cell_angle_alpha 27.40278658
_cell_angle_beta 27.40278658
_cell_angle_gamma 27.40278329
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Sr5Al9 e_above_hull is 0.0 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_RbCeTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.95883409
_cell_length_b 8.95883409
_cell_length_c 8.95883410
_cell_angle_alpha 30.43231335
_cell_angle_beta 30.43231335
_cell_angle_gamma 30.43231129
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is RbCeTe2 e_above_hull is 0.0 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_NdInAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84130000
_cell_length_b 7.84130000
_cell_length_c 4.22161200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000001
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is NdInAu e_above_hull is 0.0 and spacegroup is 189. Generate the CIF file for this compound. |
# generated using pymatgen
data_NdInPt4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45819826
_cell_length_b 5.45819826
_cell_length_c 5.45819826
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is NdInPt4 e_above_hull is 0.0 and spacegroup is 216. Generate the CIF file for this compound. |
# generated using pymatgen
data_CsTiCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65643680
_cell_length_b 7.65643680
_cell_length_c 5.67208100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is CsTiCl3 e_above_hull is 0.0095245617777779 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_ErCu4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01476877
_cell_length_b 5.01476877
_cell_length_c 5.01476877
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is ErCu4Au e_above_hull is 0.0 and spacegroup is 216. Generate the CIF file for this compound. |
# generated using pymatgen
data_GaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.94945453
_cell_length_b 8.94945453
_cell_length_c 8.94945391
_cell_angle_alpha 23.44788308
_cell_angle_beta 23.44788308
_cell_angle_gamma 23.44787746
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaS... | null | Description: formula is GaS e_above_hull is 0.0061314112500001 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_ErRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27961400
_cell_length_b 5.76799500
_cell_length_c 7.64664200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is ErRhO3 e_above_hull is 0.0 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ni3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06502063
_cell_length_b 7.06502063
_cell_length_c 7.06502063
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Ni3Se4 e_above_hull is 0.0 and spacegroup is 227. Generate the CIF file for this compound. |
# generated using pymatgen
data_CrRe5B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88769755
_cell_length_b 4.88769755
_cell_length_c 7.21217200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 145.37005165
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is CrRe5B2 e_above_hull is 0.0266348290625018 and spacegroup is 38. Generate the CIF file for this compound. |
# generated using pymatgen
data_V3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65211100
_cell_length_b 4.65211100
_cell_length_c 4.65211100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3... | null | Description: formula is V3Co e_above_hull is 0.0 and spacegroup is 223. Generate the CIF file for this compound. |
# generated using pymatgen
data_KSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51877385
_cell_length_b 6.51877385
_cell_length_c 8.12006694
_cell_angle_alpha 81.19971892
_cell_angle_beta 81.19971892
_cell_angle_gamma 59.70986882
_symmetry_Int_Tables_number 1
_chemical_formula_structural KS... | null | Description: formula is KSe3 e_above_hull is 0.0 and spacegroup is 5. Generate the CIF file for this compound. |
# generated using pymatgen
data_HoMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01796237
_cell_length_b 6.01796237
_cell_length_c 6.01796237
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | null | Description: formula is HoMg2 e_above_hull is 0.009115968333333 and spacegroup is 227. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sc3In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53289200
_cell_length_b 4.53289200
_cell_length_c 4.53289200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | null | Description: formula is Sc3In e_above_hull is 0.0082810912499997 and spacegroup is 221. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ge2Bi2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.22754432
_cell_length_b 19.22754432
_cell_length_c 19.22754488
_cell_angle_alpha 12.91050565
_cell_angle_beta 12.91050565
_cell_angle_gamma 12.91050420
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | null | Description: formula is Ge2Bi2Te5 e_above_hull is 0.0193411533333334 and spacegroup is 160. Generate the CIF file for this compound. |
# generated using pymatgen
data_Lu2(CN2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16302851
_cell_length_b 6.16302851
_cell_length_c 6.16302845
_cell_angle_alpha 60.77112448
_cell_angle_beta 60.77112448
_cell_angle_gamma 60.77112589
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Lu2(CN2)3 e_above_hull is 0.0451846004545437 and spacegroup is 155. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ti2NiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33243052
_cell_length_b 4.33243052
_cell_length_c 4.33243052
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Ti2NiIr e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_GdAs2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.50421900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.13890690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is GdAs2Au e_above_hull is 0.0103049374999999 and spacegroup is 64. Generate the CIF file for this compound. |
# generated using pymatgen
data_Tm(FeSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41199598
_cell_length_b 5.41199598
_cell_length_c 8.91623600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999978
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Tm(FeSn)6 e_above_hull is 0.0212056496153829 and spacegroup is 191. Generate the CIF file for this compound. |
# generated using pymatgen
data_SrSc2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50941625
_cell_length_b 5.50941625
_cell_length_c 10.68560000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.12450481
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is SrSc2O4 e_above_hull is 0.0259779382142859 and spacegroup is 63. Generate the CIF file for this compound. |
null | null | Description: formula is e_above_hull is and spacegroup is . Generate the CIF file for this compound. |
null | null | Description: formula is e_above_hull is and spacegroup is . Generate the CIF file for this compound. |
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