output stringlengths 692 1.73k ⌀ | instruction float64 | input stringlengths 102 139 |
|---|---|---|
# generated using pymatgen
data_RuRh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.15878201
_cell_length_b 11.15878201
_cell_length_c 11.15878124
_cell_angle_alpha 14.01407843
_cell_angle_beta 14.01407843
_cell_angle_gamma 14.01407690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is RuRh4 e_above_hull is 0.0135466090000004 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_AlFe2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04734487
_cell_length_b 4.04734487
_cell_length_c 4.04734487
_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 AlFe2Ge e_above_hull is 0.0129319641666665 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_HoAsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27435610
_cell_length_b 4.27435610
_cell_length_c 15.51397100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000160
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is HoAsPt e_above_hull is 0.0 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_LaAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97751731
_cell_length_b 4.97751731
_cell_length_c 4.04785000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.45383475
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is LaAlNi4 e_above_hull is 0.0 and spacegroup is 65. Generate the CIF file for this compound. |
# generated using pymatgen
data_Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.76580900
_cell_length_b 11.76580900
_cell_length_c 8.20352500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | null | Description: formula is Cl2 e_above_hull is 0.0349784949999998 and spacegroup is 138. Generate the CIF file for this compound. |
# generated using pymatgen
data_ErAg(PSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65356498
_cell_length_b 6.65356498
_cell_length_c 15.23170800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998982
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | null | Description: formula is ErAg(PSe3)2 e_above_hull is 0.0 and spacegroup is 163. Generate the CIF file for this compound. |
# generated using pymatgen
data_K2NaInAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.13689991
_cell_length_b 9.13689991
_cell_length_c 9.13689991
_cell_angle_alpha 136.14349355
_cell_angle_beta 135.84269566
_cell_angle_gamma 63.99132720
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is K2NaInAs2 e_above_hull is 0.0 and spacegroup is 72. Generate the CIF file for this compound. |
# generated using pymatgen
data_NaLi3V4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84307872
_cell_length_b 6.84307872
_cell_length_c 5.92263809
_cell_angle_alpha 75.01420117
_cell_angle_beta 75.01420117
_cell_angle_gamma 82.15137507
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is NaLi3V4O12 e_above_hull is 0.0218358097499962 and spacegroup is 5. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ce2Y(AlPd)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19942288
_cell_length_b 7.19942288
_cell_length_c 4.15664800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.60981178
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | null | Description: formula is Ce2Y(AlPd)3 e_above_hull is 0.0039980394444443 and spacegroup is 38. Generate the CIF file for this compound. |
# generated using pymatgen
data_CoCu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34675900
_cell_length_b 3.94128900
_cell_length_c 9.63143100
_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 CoCu2O3 e_above_hull is 0.0713218570833325 and spacegroup is 59. Generate the CIF file for this compound. |
# generated using pymatgen
data_SrAuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13774538
_cell_length_b 6.13774538
_cell_length_c 3.67159854
_cell_angle_alpha 89.98187146
_cell_angle_beta 89.98187146
_cell_angle_gamma 108.52619295
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is SrAuO2 e_above_hull is 0.031812408749996 and spacegroup is 12. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ca2BiSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23964000
_cell_length_b 5.76887000
_cell_length_c 5.97263305
_cell_angle_alpha 89.57275988
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Ca2BiSbO6 e_above_hull is 0.0667529233749988 and spacegroup is 11. Generate the CIF file for this compound. |
# generated using pymatgen
data_SF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18723583
_cell_length_b 5.18723583
_cell_length_c 5.18723583
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is SF6 e_above_hull is 0.0 and spacegroup is 229. Generate the CIF file for this compound. |
# generated using pymatgen
data_Tl(CoSe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33830389
_cell_length_b 7.33830389
_cell_length_c 7.33830389
_cell_angle_alpha 149.46589556
_cell_angle_beta 149.46589556
_cell_angle_gamma 43.72597946
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Tl(CoSe)2 e_above_hull is 0.0464635525249983 and spacegroup is 139. Generate the CIF file for this compound. |
# generated using pymatgen
data_NdSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64940600
_cell_length_b 7.48278500
_cell_length_c 8.12886500
_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 NdSnPt e_above_hull is 0.0106709455555558 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_Hf(AlFe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48248296
_cell_length_b 6.48248296
_cell_length_c 6.48248296
_cell_angle_alpha 135.09165044
_cell_angle_beta 99.10092126
_cell_angle_gamma 97.67704175
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Hf(AlFe)6 e_above_hull is 0.0 and spacegroup is 71. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ba2CuSeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05272900
_cell_length_b 4.05272900
_cell_length_c 7.56178200
_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 Ba2CuSeO2 e_above_hull is 0.0471622677777814 and spacegroup is 123. Generate the CIF file for this compound. |
# generated using pymatgen
data_MgMn(SiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47431510
_cell_length_b 6.88161282
_cell_length_c 6.88169865
_cell_angle_alpha 85.43523048
_cell_angle_beta 74.31265868
_cell_angle_gamma 74.31425770
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is MgMn(SiO3)2 e_above_hull is 0.0261664849999991 and spacegroup is 15. Generate the CIF file for this compound. |
# generated using pymatgen
data_Bi4Te2Br2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57048800
_cell_length_b 5.57048800
_cell_length_c 9.81697700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Bi4Te2Br2O9 e_above_hull is 0.0455690043382306 and spacegroup is 99. Generate the CIF file for this compound. |
# generated using pymatgen
data_TaPbF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43392900
_cell_length_b 4.99580800
_cell_length_c 6.89135022
_cell_angle_alpha 85.97904932
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is TaPbF7 e_above_hull is 0.0 and spacegroup is 11. Generate the CIF file for this compound. |
# generated using pymatgen
data_Na3TbBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73977000
_cell_length_b 7.38234000
_cell_length_c 13.16935394
_cell_angle_alpha 56.66832378
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Na3TbBr6 e_above_hull is 0.0 and spacegroup is 14. Generate the CIF file for this compound. |
# generated using pymatgen
data_NaVS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97969335
_cell_length_b 6.97969335
_cell_length_c 6.97969342
_cell_angle_alpha 29.64885799
_cell_angle_beta 29.64885799
_cell_angle_gamma 29.64885676
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | null | Description: formula is NaVS2 e_above_hull is 0.032890118928571 and spacegroup is 160. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ru2SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74848100
_cell_length_b 5.74666300
_cell_length_c 5.74974968
_cell_angle_alpha 89.20557135
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Ru2SeS3 e_above_hull is 0.0244269258333327 and spacegroup is 4. Generate the CIF file for this compound. |
# generated using pymatgen
data_PaTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70213151
_cell_length_b 6.70213151
_cell_length_c 5.66066000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999511
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is PaTe3 e_above_hull is 0.0 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_PrCuGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23897608
_cell_length_b 4.23897608
_cell_length_c 4.15710900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000132
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is PrCuGe e_above_hull is 0.0 and spacegroup is 187. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sr2MnSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74008525
_cell_length_b 5.74008525
_cell_length_c 5.74008525
_cell_angle_alpha 121.64546057
_cell_angle_beta 121.64546057
_cell_angle_gamma 87.17284948
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Sr2MnSbO6 e_above_hull is 0.0199641990000003 and spacegroup is 139. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sr3(AlSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.57473288
_cell_length_b 10.57473288
_cell_length_c 10.57473288
_cell_angle_alpha 155.38474341
_cell_angle_beta 152.74732976
_cell_angle_gamma 37.04895311
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | null | Description: formula is Sr3(AlSn)2 e_above_hull is 0.0045288555357143 and spacegroup is 71. Generate the CIF file for this compound. |
# generated using pymatgen
data_Cu2H3ClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17330000
_cell_length_b 5.74176400
_cell_length_c 5.80105846
_cell_angle_alpha 89.40057715
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Cu2H3ClO3 e_above_hull is 0.0410608815277795 and spacegroup is 11. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sr2ScOsO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72410718
_cell_length_b 5.72410718
_cell_length_c 5.72410718
_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 Sr2ScOsO6 e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Sm2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41378205
_cell_length_b 5.41378205
_cell_length_c 5.41378205
_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 Sm2CdIn e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Al3GaN4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43157100
_cell_length_b 4.43157100
_cell_length_c 4.43157100
_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 Al3GaN4 e_above_hull is 0.0187866262499998 and spacegroup is 215. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li2PtF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74930900
_cell_length_b 4.73384400
_cell_length_c 10.46205334
_cell_angle_alpha 63.16877099
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Li2PtF6 e_above_hull is 0.0010120994444431 and spacegroup is 14. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li5SbO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31822342
_cell_length_b 5.31822342
_cell_length_c 5.87935709
_cell_angle_alpha 72.59971515
_cell_angle_beta 72.59971515
_cell_angle_gamma 44.97075560
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Li5SbO5 e_above_hull is 0.0 and spacegroup is 12. Generate the CIF file for this compound. |
# generated using pymatgen
data_KFeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64715640
_cell_length_b 6.64715640
_cell_length_c 5.37102030
_cell_angle_alpha 78.46385042
_cell_angle_beta 78.46385042
_cell_angle_gamma 116.23401461
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is KFeS2 e_above_hull is 0.0040891905357165 and spacegroup is 15. Generate the CIF file for this compound. |
# generated using pymatgen
data_Nd2MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46980471
_cell_length_b 5.46980471
_cell_length_c 5.46980471
_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 Nd2MgCd e_above_hull is 0.01325031 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_YbTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58313800
_cell_length_b 5.05917600
_cell_length_c 5.52807324
_cell_angle_alpha 84.34325453
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is YbTaO4 e_above_hull is 0.0 and spacegroup is 13. Generate the CIF file for this compound. |
# generated using pymatgen
data_Er2MgOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95701794
_cell_length_b 4.95701794
_cell_length_c 4.95701794
_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 Er2MgOs e_above_hull is 0.05267568239094 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Co2AsClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71263200
_cell_length_b 4.99458800
_cell_length_c 6.95958971
_cell_angle_alpha 88.50540921
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Co2AsClO4 e_above_hull is 0.0 and spacegroup is 11. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ba2PtAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44637868
_cell_length_b 6.44637868
_cell_length_c 4.84685200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 139.11544761
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Ba2PtAu e_above_hull is 0.0062564250000001 and spacegroup is 38. Generate the CIF file for this compound. |
# generated using pymatgen
data_Dy(AlSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21513612
_cell_length_b 4.21513612
_cell_length_c 6.55666200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000195
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Dy(AlSi)2 e_above_hull is 0.0239475480000006 and spacegroup is 164. Generate the CIF file for this compound. |
# generated using pymatgen
data_Dy3(CoGe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70432638
_cell_length_b 5.70432638
_cell_length_c 8.00740058
_cell_angle_alpha 73.56770493
_cell_angle_beta 73.56770493
_cell_angle_gamma 42.99322886
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Dy3(CoGe2)2 e_above_hull is 0.0072754244444483 and spacegroup is 12. Generate the CIF file for this compound. |
# generated using pymatgen
data_RbAlNiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15251844
_cell_length_b 7.15251844
_cell_length_c 7.15251844
_cell_angle_alpha 120.30071011
_cell_angle_beta 119.52020841
_cell_angle_gamma 90.15648464
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is RbAlNiF6 e_above_hull is 0.0 and spacegroup is 74. Generate the CIF file for this compound. |
# generated using pymatgen
data_LaCd2Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05825866
_cell_length_b 5.05825866
_cell_length_c 5.05825866
_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 LaCd2Cu e_above_hull is 0.0769669400000028 and spacegroup is 216. Generate the CIF file for this compound. |
# generated using pymatgen
data_Er2InAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66906800
_cell_length_b 3.66906800
_cell_length_c 7.37895600
_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 Er2InAg e_above_hull is 0.0119127099999998 and spacegroup is 123. Generate the CIF file for this compound. |
# generated using pymatgen
data_PrOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47059525
_cell_length_b 5.47059525
_cell_length_c 5.47059525
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | null | Description: formula is PrOs2 e_above_hull is 0.0223354175000043 and spacegroup is 227. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ti5CuS10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89328200
_cell_length_b 6.81035673
_cell_length_c 8.33334770
_cell_angle_alpha 107.92552878
_cell_angle_beta 110.63875203
_cell_angle_gamma 89.94005710
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Ti5CuS10 e_above_hull is 0.0094705178125007 and spacegroup is 2. Generate the CIF file for this compound. |
# generated using pymatgen
data_MnPO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29690857
_cell_length_b 6.22656601
_cell_length_c 5.44837395
_cell_angle_alpha 77.04571076
_cell_angle_beta 56.26324962
_cell_angle_gamma 46.69103962
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | null | Description: formula is MnPO4 e_above_hull is 0.0525217475000001 and spacegroup is 43. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li2HfO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26663162
_cell_length_b 5.26663162
_cell_length_c 5.41137379
_cell_angle_alpha 78.47069047
_cell_angle_beta 78.47069047
_cell_angle_gamma 117.83917274
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Li2HfO3 e_above_hull is 0.0 and spacegroup is 15. Generate the CIF file for this compound. |
# generated using pymatgen
data_Zr5N5O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52583513
_cell_length_b 5.52583513
_cell_length_c 9.25826218
_cell_angle_alpha 75.04193980
_cell_angle_beta 75.04193980
_cell_angle_gamma 32.74625665
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Zr5N5O2 e_above_hull is 0.0513304027083343 and spacegroup is 8. Generate the CIF file for this compound. |
# generated using pymatgen
data_SrBe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62219227
_cell_length_b 4.62219227
_cell_length_c 8.98741200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000380
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is SrBe3O4 e_above_hull is 0.0 and spacegroup is 190. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ba2LuCu3O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81890300
_cell_length_b 3.89846900
_cell_length_c 11.80187100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Ba2LuCu3O7 e_above_hull is 0.0403003135096193 and spacegroup is 47. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li2FeF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37266900
_cell_length_b 5.63266500
_cell_length_c 5.86708683
_cell_angle_alpha 61.54574892
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Li2FeF4 e_above_hull is 0.028641942857142 and spacegroup is 4. Generate the CIF file for this compound. |
# generated using pymatgen
data_Fe(CoO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93989310
_cell_length_b 5.93989310
_cell_length_c 5.93989310
_cell_angle_alpha 60.86450801
_cell_angle_beta 88.64537120
_cell_angle_gamma 119.30660125
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Fe(CoO2)2 e_above_hull is 0.0169753248214314 and spacegroup is 74. Generate the CIF file for this compound. |
# generated using pymatgen
data_LiYbPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32193454
_cell_length_b 5.32193454
_cell_length_c 5.32193454
_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 LiYbPb2 e_above_hull is 0.0122601000000002 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_USnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41804000
_cell_length_b 7.01680400
_cell_length_c 9.85251100
_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 USnRh2 e_above_hull is 0.0014779765000003 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_HgBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66579404
_cell_length_b 6.66579404
_cell_length_c 6.66579404
_cell_angle_alpha 136.31053051
_cell_angle_beta 136.31053051
_cell_angle_gamma 63.50061387
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is HgBr e_above_hull is 0.0 and spacegroup is 139. Generate the CIF file for this compound. |
# generated using pymatgen
data_AcLa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63804165
_cell_length_b 7.63804165
_cell_length_c 6.25778400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999695
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is AcLa3 e_above_hull is 0.0532160843749993 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_Dy6CoTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.35091429
_cell_length_b 8.35091429
_cell_length_c 3.89122400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000227
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Dy6CoTe2 e_above_hull is 0.0 and spacegroup is 189. Generate the CIF file for this compound. |
# generated using pymatgen
data_Nb6PdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18900200
_cell_length_b 5.18900200
_cell_length_c 5.18900200
_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 Nb6PdRh e_above_hull is 0.017379459999999 and spacegroup is 200. Generate the CIF file for this compound. |
# generated using pymatgen
data_Tl2MoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11543452
_cell_length_b 7.11543452
_cell_length_c 7.11543452
_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 Tl2MoCl6 e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Rb3Sb2Au3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28966327
_cell_length_b 8.28966327
_cell_length_c 8.28966308
_cell_angle_alpha 47.35309048
_cell_angle_beta 47.35309048
_cell_angle_gamma 47.35308810
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Rb3Sb2Au3 e_above_hull is 0.0 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ho2NiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77485168
_cell_length_b 4.77485168
_cell_length_c 4.77485168
_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 Ho2NiRu e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_YbAlHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02314798
_cell_length_b 5.02314798
_cell_length_c 5.02314798
_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 YbAlHg2 e_above_hull is 0.0234664591666671 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_KCr4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19296529
_cell_length_b 7.19296529
_cell_length_c 7.19296529
_cell_angle_alpha 92.50468430
_cell_angle_beta 92.50468430
_cell_angle_gamma 155.86686320
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is KCr4O8 e_above_hull is 0.0328785703846143 and spacegroup is 87. Generate the CIF file for this compound. |
# generated using pymatgen
data_ZrU4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.61194877
_cell_length_b 15.61194877
_cell_length_c 15.61194846
_cell_angle_alpha 13.99654849
_cell_angle_beta 13.99654849
_cell_angle_gamma 13.99654689
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is ZrU4O10 e_above_hull is 0.0361168886666742 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_Tb2ReC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15645300
_cell_length_b 6.59178900
_cell_length_c 9.90454000
_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 Tb2ReC2 e_above_hull is 0.0 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_Rb2CeAgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70261144
_cell_length_b 6.70261144
_cell_length_c 6.70261144
_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 Rb2CeAgF6 e_above_hull is 0.0588264360000003 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Li5Fe3(NiO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16873781
_cell_length_b 5.09475180
_cell_length_c 7.82961565
_cell_angle_alpha 110.08357656
_cell_angle_beta 102.97698570
_cell_angle_gamma 98.50346752
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | null | Description: formula is Li5Fe3(NiO5)2 e_above_hull is 0.044943256625002 and spacegroup is 2. Generate the CIF file for this compound. |
# generated using pymatgen
data_SrClF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18117600
_cell_length_b 4.18117600
_cell_length_c 7.01969000
_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 SrClF e_above_hull is 0.0 and spacegroup is 129. Generate the CIF file for this compound. |
# generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46281000
_cell_length_b 5.52763180
_cell_length_c 10.89258904
_cell_angle_alpha 91.75705130
_cell_angle_beta 91.67764443
_cell_angle_gamma 118.34329524
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is VOF3 e_above_hull is 0.0256689845000002 and spacegroup is 1. Generate the CIF file for this compound. |
# generated using pymatgen
data_Rb2Ti(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23085508
_cell_length_b 7.27516287
_cell_length_c 7.23088270
_cell_angle_alpha 90.00000000
_cell_angle_beta 60.40599182
_cell_angle_gamma 120.20290077
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | null | Description: formula is Rb2Ti(TeO4)3 e_above_hull is 0.0 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_NaCd2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76500592
_cell_length_b 4.76500592
_cell_length_c 4.76500592
_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 NaCd2Rh e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_LuFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05312789
_cell_length_b 5.05312789
_cell_length_c 5.05312789
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | null | Description: formula is LuFe2 e_above_hull is 0.0 and spacegroup is 227. Generate the CIF file for this compound. |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28910296
_cell_length_b 3.28910296
_cell_length_c 5.30682100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001938
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn... | null | Description: formula is ZnO e_above_hull is 0.0 and spacegroup is 186. Generate the CIF file for this compound. |
# generated using pymatgen
data_BiBPbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13828788
_cell_length_b 6.32229900
_cell_length_c 9.40673388
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.65816915
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is BiBPbS4 e_above_hull is 0.004932426071428 and spacegroup is 4. Generate the CIF file for this compound. |
# generated using pymatgen
data_MoW3Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32132763
_cell_length_b 3.32132763
_cell_length_c 37.87051200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999271
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is MoW3Se8 e_above_hull is 0.0632241700000006 and spacegroup is 156. Generate the CIF file for this compound. |
# generated using pymatgen
data_RbScO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28499155
_cell_length_b 3.28499155
_cell_length_c 12.88091400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999087
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is RbScO2 e_above_hull is 0.0 and spacegroup is 194. Generate the CIF file for this compound. |
# generated using pymatgen
data_Cs2RbScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98380690
_cell_length_b 7.98380690
_cell_length_c 7.98380690
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is Cs2RbScCl6 e_above_hull is 0.005919516000012 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_MgCu2SiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.56238600
_cell_length_b 6.85209200
_cell_length_c 8.01150000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is MgCu2SiSe4 e_above_hull is 0.0 and spacegroup is 31. Generate the CIF file for this compound. |
# generated using pymatgen
data_Hf3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81544892
_cell_length_b 5.81544892
_cell_length_c 5.81544892
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Hf3N4 e_above_hull is 0.0691836760714288 and spacegroup is 220. Generate the CIF file for this compound. |
# generated using pymatgen
data_LuGePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58133400
_cell_length_b 7.19786900
_cell_length_c 7.20564700
_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 LuGePd2 e_above_hull is 0.0 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_LiCu2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67194100
_cell_length_b 4.67194100
_cell_length_c 9.06660600
_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 LiCu2F6 e_above_hull is 0.0 and spacegroup is 136. Generate the CIF file for this compound. |
# generated using pymatgen
data_CeAl4Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06557407
_cell_length_b 8.06557407
_cell_length_c 6.59465200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.40380133
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is CeAl4Ni e_above_hull is 0.0 and spacegroup is 63. Generate the CIF file for this compound. |
# generated using pymatgen
data_Hf2SN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34501901
_cell_length_b 6.34501901
_cell_length_c 6.34501901
_cell_angle_alpha 147.87617353
_cell_angle_beta 141.78793596
_cell_angle_gamma 50.75575584
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Hf2SN2 e_above_hull is 0.0209915219999903 and spacegroup is 71. Generate the CIF file for this compound. |
# generated using pymatgen
data_InCuTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46045500
_cell_length_b 4.46045500
_cell_length_c 6.29288300
_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 InCuTe2 e_above_hull is 0.00138281125 and spacegroup is 115. Generate the CIF file for this compound. |
# generated using pymatgen
data_HfZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30356000
_cell_length_b 3.30356000
_cell_length_c 3.30356000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf... | null | Description: formula is HfZn e_above_hull is 4.477895833332468e-05 and spacegroup is 221. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ti2Be3Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65736164
_cell_length_b 4.65736164
_cell_length_c 4.71500047
_cell_angle_alpha 90.00000000
_cell_angle_beta 60.40356810
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is Ti2Be3Ga e_above_hull is 0.0367999455637262 and spacegroup is 166. Generate the CIF file for this compound. |
# generated using pymatgen
data_La3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.87751949
_cell_length_b 7.87751949
_cell_length_c 7.87751949
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | null | Description: formula is La3Se4 e_above_hull is 0.0059004883928572 and spacegroup is 220. Generate the CIF file for this compound. |
# generated using pymatgen
data_LiCuRu2(RhO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14588261
_cell_length_b 6.14588261
_cell_length_c 6.14588261
_cell_angle_alpha 125.16103615
_cell_angle_beta 118.74297299
_cell_angle_gamma 86.74627335
_symmetry_Int_Tables_number 1
_chemical_formula_str... | null | Description: formula is LiCuRu2(RhO4)2 e_above_hull is 0.0422476200000003 and spacegroup is 44. Generate the CIF file for this compound. |
# generated using pymatgen
data_LiYb2Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43979934
_cell_length_b 5.43979934
_cell_length_c 5.43979934
_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 LiYb2Tl e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_ErSbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50734400
_cell_length_b 7.17315900
_cell_length_c 7.89480500
_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 ErSbRh e_above_hull is 0.0 and spacegroup is 62. Generate the CIF file for this compound. |
# generated using pymatgen
data_HfGaPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20419758
_cell_length_b 7.20419758
_cell_length_c 6.94632000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999617
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is HfGaPd e_above_hull is 0.0 and spacegroup is 190. Generate the CIF file for this compound. |
# generated using pymatgen
data_Ce(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83614512
_cell_length_b 5.83614512
_cell_length_c 5.83614512
_cell_angle_alpha 139.52750647
_cell_angle_beta 139.52750647
_cell_angle_gamma 58.57142021
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Ce(CoAs)2 e_above_hull is 0.0 and spacegroup is 139. Generate the CIF file for this compound. |
# generated using pymatgen
data_K(BH)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29314570
_cell_length_b 6.29314570
_cell_length_c 6.29314570
_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 K(BH)3 e_above_hull is 0.0474738208571423 and spacegroup is 225. Generate the CIF file for this compound. |
# generated using pymatgen
data_Zr5Al3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33852433
_cell_length_b 8.33852433
_cell_length_c 5.62451100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000265
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Zr5Al3C e_above_hull is 0.0380364504012318 and spacegroup is 193. Generate the CIF file for this compound. |
# generated using pymatgen
data_Pr2Ge5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.55455860
_cell_length_b 8.55455860
_cell_length_c 8.55455860
_cell_angle_alpha 139.66109337
_cell_angle_beta 108.38194242
_cell_angle_gamma 85.55058445
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | null | Description: formula is Pr2Ge5Ru3 e_above_hull is 0.0 and spacegroup is 72. Generate the CIF file for this compound. |
# generated using pymatgen
data_TbHo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99063400
_cell_length_b 4.99063400
_cell_length_c 4.99063400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | null | Description: formula is TbHo3 e_above_hull is 0.0248982749999999 and spacegroup is 221. Generate the CIF file for this compound. |
# generated using pymatgen
data_Na3BS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83143939
_cell_length_b 6.83143939
_cell_length_c 8.44995169
_cell_angle_alpha 65.82252828
_cell_angle_beta 65.82252828
_cell_angle_gamma 58.69666747
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | null | Description: formula is Na3BS3 e_above_hull is 0.0 and spacegroup is 15. Generate the CIF file for this compound. |
# generated using pymatgen
data_LiFePH2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80716312
_cell_length_b 5.75962113
_cell_length_c 8.40097100
_cell_angle_alpha 103.21941717
_cell_angle_beta 90.00495601
_cell_angle_gamma 90.03583807
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | null | Description: formula is LiFePH2O5 e_above_hull is 0.0408764117499842 and spacegroup is 4. Generate the CIF file for this compound. |
# generated using pymatgen
data_Rb2AgPdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25341620
_cell_length_b 6.25341620
_cell_length_c 6.25341620
_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 Rb2AgPdF6 e_above_hull is 0.0 and spacegroup is 225. Generate the CIF file for this compound. |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.