action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
ChangeAtomAction | d21e661a-faae-4474-916f-c9949d999c47 | mp-1194795 | Change the atom at index 30 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba28Ge2SbGeB12Br4O52
_chemical_formula_sum "Ba28 Ge3 Sb1 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | 350c1cd7-37ff-48d8-996a-05a21152f0aa | mp-1349418 | Change the atom at index 12 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg4Mo8LiMo3O28
_chemical_formula_sum "Mg4 Mo11 Li1 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | b656a06b-eaab-46b6-97fe-9643eb141928 | mp-629560 | Change the atom at index 36 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... | data_image0
_chemical_formula_structural Fe6C18Se4O8AuO9
_chemical_formula_sum "Fe6 C18 Se4 O17 Au1"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_spac... |
ChangeAtomAction | 60bdfd3d-5bdb-47be-8e21-837704c3e3fa | mp-1214888 | Change the atom at index 27 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O11Se
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O11 Se1"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_grou... |
ChangeAtomAction | 5c07919f-6a33-4d05-a2a8-edd581499dc2 | mp-9619 | Change the atom at index 0 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural RfFe4P12
_chemical_formula_sum "Rf1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
ChangeAtomAction | b5cbe1b1-43d8-4e16-a711-e94b9e8a811b | mp-1074916 | Change the atom at index 4 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg4FrMg9Si8
_chemical_formula_sum "Mg13 Fr1 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_spa... |
ChangeAtomAction | 0211015a-92c4-4249-9ebf-1528e179c908 | mp-1217186 | Change the atom at index 18 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S10RbS
_chemical_formula_sum "Ti3 Sn5 S11 Rb1"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 239372ab-32c2-4569-97de-bb14c60a3ae4 | mp-1197379 | Change the atom at index 17 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O9BrO18
_chemical_formula_sum "Y2 N6 O27 Br1"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_grou... |
ChangeAtomAction | f029da2c-f654-46b9-9fb1-3bc35f1fa048 | mp-699431 | Change the atom at index 7 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H5MgH2Se4O16
_chemical_formula_sum "Al2 H7 Mg1 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | 9094e801-57b6-4e26-a18a-13837b7da286 | mp-1209429 | Change the atom at index 6 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... | data_image0
_chemical_formula_structural Pr3Si3FlSi2Pd20
_chemical_formula_sum "Pr3 Si5 Fl1 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_... |
ChangeAtomAction | 4eaf094d-ba54-41f8-a00c-6bb16aa67f94 | mp-756138 | Change the atom at index 15 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O3LiO12
_chemical_formula_sum "Li5 V6 Sb2 O15"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_gr... |
ChangeAtomAction | 31414657-b0ff-48fd-9f16-9267d392e100 | mp-1220625 | Change the atom at index 1 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... | data_image0
_chemical_formula_structural NdOsNd2Si7
_chemical_formula_sum "Nd3 Os1 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
ChangeAtomAction | 4c01fc60-7e87-43b7-a9c0-ba8f68e60e2a | mp-1219608 | Change the atom at index 1 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural RbCsTiNbO6F
_chemical_formula_sum "Rb1 Cs1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 86d6d2db-d5a6-4f94-b9bb-7aa57a8356dc | mp-24598 | Change the atom at index 44 into Cd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O12CdO27
_chemical_formula_sum "Ba4 V4 P8 H16 O39 Cd1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | 00a78800-5d12-46c5-a199-35b7152fbc60 | mp-680754 | Change the atom at index 13 into Au in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2PbAuPb4
_chemical_formula_sum "Ca10 Cu2 Pb5 Au1"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name... |
ChangeAtomAction | a8e3325a-0ea2-4160-942b-cfb52f2434a2 | mp-753268 | Change the atom at index 3 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... | data_image0
_chemical_formula_structural Li3MdLi2CuF8
_chemical_formula_sum "Li5 Md1 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72... |
ChangeAtomAction | a9ff7a6b-de00-4a0a-a0d5-7e6a99e7db20 | mp-1193899 | Change the atom at index 5 into Nd in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta5NdTa2Fe8Si14
_chemical_formula_sum "Ta7 Nd1 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
... |
ChangeAtomAction | 6ec68d87-cf8a-4d8d-9279-a083a9fde6d1 | mp-559593 | Change the atom at index 9 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S6NoS2N15F6
_chemical_formula_sum "P3 S8 No1 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.554... |
ChangeAtomAction | c358ff4d-65d9-41f5-9295-47c32670f396 | mp-757606 | Change the atom at index 15 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O3IrO12
_chemical_formula_sum "Li4 Ni4 P4 O15 Ir1"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.... |
ChangeAtomAction | 53e8b6fb-383e-43d9-a90e-56f9d1e4e7c0 | mp-1040980 | Change the atom at index 2 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Mg2TsMgCu8Bi8O32
_chemical_formula_sum "Mg3 Ts1 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
ChangeAtomAction | 0158dccb-a76f-4fbc-b53e-43f26baad828 | mp-1227512 | Change the atom at index 2 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Bi2UBi5Se6S6
_chemical_formula_sum "Bi7 U1 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
ChangeAtomAction | b6c983d9-c30a-47a6-a91f-fb58efa57fce | mp-779625 | Change the atom at index 7 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7FLi8Mn8P12O48
_chemical_formula_sum "Li15 F1 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 44f87340-c6db-45d1-9e6e-717ad663215d | mp-1356795 | Change the atom at index 22 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O8SO15
_chemical_formula_sum "Zn6 Bi4 P4 O23 S1"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | e986eb42-2cfe-472e-a795-7e89db109133 | mp-1303460 | Change the atom at index 13 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C5NpC2O24
_chemical_formula_sum "Li4 Co4 C7 Np1 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.... |
ChangeAtomAction | ecc88bca-9a5f-47c6-8761-97c08c1f6a14 | mp-1198945 | Change the atom at index 29 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... | data_image0
_chemical_formula_structural Mg4B8H17EsH6
_chemical_formula_sum "Mg4 B8 H23 Es1"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_... |
ChangeAtomAction | cf6717cc-07a7-4a45-bb44-2c14902503fa | mp-1331651 | Change the atom at index 6 into Ce in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn2CeV3Sb2O16
_chemical_formula_sum "Li4 Mn2 Ce1 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_sp... |
ChangeAtomAction | 16b7bbba-dc04-4f12-9a62-cb63d640daea | mp-555792 | Change the atom at index 13 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O7IrO4
_chemical_formula_sum "Na2 Os4 O11 Ir1"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
ChangeAtomAction | 35f0bcf2-8c6b-45d2-95ae-8639d60d76f7 | mp-35143 | Change the atom at index 6 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S2SiS3
_chemical_formula_sum "Ba2 Nb2 S5 Si1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H... |
ChangeAtomAction | 244a0551-bca4-4251-8acd-c3dff17f38a9 | mp-1197620 | Change the atom at index 5 into Ar in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K5ArK6As4P12Se36
_chemical_formula_sum "K11 Ar1 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | 466de713-6fd2-4c25-aa88-4a1df5bb46c0 | mp-1245330 | Change the atom at index 19 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Fe19SrFe8Ge4N24
_chemical_formula_sum "Fe27 Sr1 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | e54f649a-072c-460c-ba06-5b78426df6cc | mp-1048419 | Change the atom at index 6 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... | data_image0
_chemical_formula_structural Mg4Ta2SiNb3O16
_chemical_formula_sum "Mg4 Ta2 Si1 Nb3 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7... |
ChangeAtomAction | b3a1e486-4a31-4b38-b8f8-9dcc8bb682aa | mp-1508 | Change the atom at index 3 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La3TbLa4S16
_chemical_formula_sum "La7 Tb1 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 5d32a121-e8c5-447e-8c6f-9fcab5980eef | mp-1209038 | Change the atom at index 3 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... | data_image0
_chemical_formula_structural Sm3CaSm8Co4Sn2
_chemical_formula_sum "Sm11 Ca1 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_g... |
ChangeAtomAction | 62ed725e-ad86-45d7-8040-a1d4d4743d98 | mp-781738 | Change the atom at index 48 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O22CO9
_chemical_formula_sum "Na12 V4 B8 S2 O31 C1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
ChangeAtomAction | a91bcf33-3805-494f-ade9-e6699c12b216 | mp-1175308 | Change the atom at index 4 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li4VLi9Mn10O24
_chemical_formula_sum "Li13 V1 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592... |
ChangeAtomAction | 143ea058-e811-43d3-b3a7-2af55e81fca0 | mp-554397 | Change the atom at index 3 into Ta in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Si3TaSi4O16
_chemical_formula_sum "Si7 Ta1 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
ChangeAtomAction | b833b0e7-d52c-4f25-bf86-5ad328094463 | mp-559558 | Change the atom at index 54 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Cu12P32S10SmS13Cl12
_chemical_formula_sum "Cu12 P32 S23 Sm1 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
ChangeAtomAction | 4495ea64-fc0c-403d-8fdb-4eff1ab18ba4 | mp-685281 | Change the atom at index 11 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH9ZrH2O6F6
_chemical_formula_sum "Ti1 Zn1 H11 Zr1 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.563953... |
ChangeAtomAction | 2d2bbbd0-441d-46c3-8fe6-eadc2c932da6 | mp-1019732 | Change the atom at index 26 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O14CaO
_chemical_formula_sum "Eu4 Al8 O15 Ca1"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | 24a275b7-2a8f-4e66-b3ed-d05e0ec95c7d | mp-1173626 | Change the atom at index 11 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O5DsO4
_chemical_formula_sum "Nd4 C2 O9 Ds1"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt ... |
ChangeAtomAction | 76fc1887-7065-40fe-9793-3b0f6cdf7145 | mp-760977 | Change the atom at index 4 into Y in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni4YNiO2F10
_chemical_formula_sum "Ni5 Y1 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_... |
ChangeAtomAction | 360213d4-03ae-4e3b-a366-183fb848486d | mp-1229279 | Change the atom at index 50 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba4Se4S16O26SbO4
_chemical_formula_sum "Ba4 Se4 S16 O30 Sb1"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | 8b7fe68a-8aab-41cf-b62f-ed736c3769df | mp-8825 | Change the atom at index 21 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... | data_image0
_chemical_formula_structural Pr21AsPr2O44
_chemical_formula_sum "Pr23 As1 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_... |
ChangeAtomAction | 0d42b5ca-73df-4c29-b32e-4b74022bc0b4 | mp-1176400 | Change the atom at index 18 into Sc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... | data_image0
_chemical_formula_structural Na8Li4Fe4P2ScPC4O28
_chemical_formula_sum "Na8 Li4 Fe4 P3 Sc1 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467... |
ChangeAtomAction | e53f6591-cd7b-4e78-88f8-378c9c436270 | mp-1246580 | Change the atom at index 12 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... | data_image0
_chemical_formula_structural Ca6Mo4N2TbN5
_chemical_formula_sum "Ca6 Mo4 N7 Tb1"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567... |
ChangeAtomAction | ed0d85b0-1c15-4061-8209-15be6a5caf47 | mp-1220408 | Change the atom at index 3 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... | data_image0
_chemical_formula_structural Nb3RbAl4Zn4
_chemical_formula_sum "Nb3 Rb1 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_... |
ChangeAtomAction | 8080e47d-8ebb-47f2-b896-e9a586466288 | mp-557123 | Change the atom at index 23 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si11RbO32
_chemical_formula_sum "Na8 Cu4 Si11 Rb1 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | a795b2e2-f537-4882-9f83-c9807b41a425 | mp-726261 | Change the atom at index 14 into Sm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... | data_image0
_chemical_formula_structural Cu2C6N4O2SmO7
_chemical_formula_sum "Cu2 C6 N4 O9 Sm1"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_sp... |
ChangeAtomAction | 9d83ffae-2349-4c21-b76b-e4b9a07f71a6 | mp-849779 | Change the atom at index 63 into Cn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... | data_image0
_chemical_formula_structural Li4Si24Bi4O31CnO24
_chemical_formula_sum "Li4 Si24 Bi4 O55 Cn1"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma ... |
ChangeAtomAction | ae665827-cc29-4986-b55a-6428978cb67d | mp-1029422 | Change the atom at index 0 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural AlNbZn4N6
_chemical_formula_sum "Al1 Nb1 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_... |
ChangeAtomAction | 2c3bc08b-c393-486f-9745-da43e97b5577 | mp-758458 | Change the atom at index 28 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O4HsO43
_chemical_formula_sum "Li4 V4 P16 O47 Hs1"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
ChangeAtomAction | dc1429e9-9dd6-4537-abf6-4fe8f67a7e05 | mp-1048875 | Change the atom at index 13 into Cm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... | data_image0
_chemical_formula_structural Mn4Zn2O7Cm
_chemical_formula_sum "Mn4 Zn2 O7 Cm1"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.197664220000... |
ChangeAtomAction | c401d2f0-74f0-4100-b828-842ad0303259 | mp-571288 | Change the atom at index 5 into Ir in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2AgIrAg2Se8
_chemical_formula_sum "K2 Ta2 Ag3 Ir1 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_grou... |
ChangeAtomAction | fb3be078-265f-49da-803b-ff9fa571ab0b | mp-1112206 | Change the atom at index 5 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgIFI4
_chemical_formula_sum "K2 Ga1 Hg1 I5 F1"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
ChangeAtomAction | 8d3dffa2-4c0f-4272-adf2-c2e1aaca37eb | mp-1214552 | Change the atom at index 8 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8McCu5Si40
_chemical_formula_sum "Ba8 Mc1 Cu5 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000... |
ChangeAtomAction | 8e30199e-200f-4ad4-a9e4-b807896756e8 | mp-1247313 | Change the atom at index 3 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn3PrZn12Ag4N12
_chemical_formula_sum "Zn15 Pr1 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
... |
ChangeAtomAction | 018d444f-7e80-40e6-9faf-2eb0c20c0d12 | mp-572465 | Change the atom at index 31 into Po in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S15PoS8
_chemical_formula_sum "Cr4 Cu4 P8 S23 Po1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
ChangeAtomAction | d397fb91-dc39-4ae0-b7fa-9782563e01f0 | mp-1216973 | Change the atom at index 16 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg2AsMg3Ge16
_chemical_formula_sum "Tm14 Mg5 As1 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | d65d19e0-54a5-4c98-ba18-9f8710732944 | mp-580962 | Change the atom at index 12 into Es in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6EsN3
_chemical_formula_sum "Rb2 C4 I6 Es1 N3"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
ChangeAtomAction | d5df0d1c-f204-4bb7-9c38-1ab6ec9e0738 | mp-885434 | Change the atom at index 12 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O4CuO
_chemical_formula_sum "K2 Li4 Fe2 O5 Cu1"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.428105... |
ChangeAtomAction | 2af95ae9-984d-47f0-ab38-59c9ca8aec3d | mp-20014 | Change the atom at index 33 into Mn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Al4V4Mo4O21MnO6
_chemical_formula_sum "Al4 V4 Mo4 O27 Mn1"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
ChangeAtomAction | 38e5f36f-c038-41b6-aab7-880ea7a575ed | mp-557900 | Change the atom at index 0 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural SiSb3C4S4Cl8F36
_chemical_formula_sum "Si1 Sb3 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
ChangeAtomAction | b41ab0bd-1786-4fb6-b518-57b88c571acf | mp-1219949 | Change the atom at index 14 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe11CoFe4
_chemical_formula_sum "Pr2 Al1 Fe15 Co1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82... |
ChangeAtomAction | c65ffb4a-9791-41d3-b309-26e5c532eb40 | mp-1075693 | Change the atom at index 16 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si6GeSi11
_chemical_formula_sum "Mg10 Si17 Ge1"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699... |
ChangeAtomAction | ec8db611-1f52-40ed-9cce-0896c9969b2b | mp-1101787 | Change the atom at index 5 into Ge in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si3GeSi6
_chemical_formula_sum "La2 Si9 Ge1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.622309279... |
ChangeAtomAction | b21c9ad5-4807-41e0-aebd-83d0b033009d | mp-1003545 | Change the atom at index 5 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4HfO7
_chemical_formula_sum "Mg1 Mn4 Hf1 O7"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_sp... |
ChangeAtomAction | 372b4b3a-9444-434a-b5a2-6aa85ecbeae7 | mp-1304002 | Change the atom at index 17 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2OUO14
_chemical_formula_sum "Li8 Ni6 Bi2 O15 U1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
ChangeAtomAction | 5c01637d-3cd4-4bc3-ae01-2a0a936e933e | mp-1110899 | Change the atom at index 6 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr2CaBr3
_chemical_formula_sum "K2 Li1 Sb1 Br5 Ca1"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
ChangeAtomAction | 052d64dc-3251-4ecd-ad63-0cd409f2a003 | mp-1236786 | Change the atom at index 11 into Ac in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb3LiTbV2O4AcO3
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O7 Ac1"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name... |
ChangeAtomAction | adafea0b-ba4c-493f-97ab-94691216fc31 | mp-2229527 | Change the atom at index 12 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... | data_image0
_chemical_formula_structural MgV2S4N5TsCl4
_chemical_formula_sum "Mg1 V2 S4 N5 Ts1 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma ... |
ChangeAtomAction | 9a23de94-a4a1-4edd-99b6-c559f65506d2 | mp-3276 | Change the atom at index 19 into O in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si7OSi2
_chemical_formula_sum "Nb8 Cr4 Si9 O1"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_sp... |
ChangeAtomAction | 19adec79-6286-44e3-9357-6fdea23071e8 | mp-1209674 | Change the atom at index 6 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Rb4Er2LiErS8O36
_chemical_formula_sum "Rb4 Er3 Li1 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | 35039283-f186-4f2f-b22a-56c3bd5ebd35 | mp-1046822 | Change the atom at index 1 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... | data_image0
_chemical_formula_structural MgSrMg2Nb4Mo2O16
_chemical_formula_sum "Mg3 Sr1 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gam... |
ChangeAtomAction | 5298a382-266f-4538-8f8f-02a13488bf38 | mp-680260 | Change the atom at index 5 into Mg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... | data_image0
_chemical_formula_structural Ti5MgTi39Se16
_chemical_formula_sum "Ti44 Mg1 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845... |
ChangeAtomAction | 48e1dab4-318d-4b8a-90d5-c68395567865 | mp-756331 | Change the atom at index 10 into Ca in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co3CaCoO16
_chemical_formula_sum "Li4 Ti3 Co4 Ca1 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma ... |
ChangeAtomAction | c0a43b3d-24b3-49fc-86e8-9dd8cda9ede8 | mp-1227411 | Change the atom at index 7 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2WBkO12
_chemical_formula_sum "Ba2 Sr2 Ni2 W1 Bk1 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.999661... |
ChangeAtomAction | f328f120-ef89-448c-8e22-736230552bd9 | mp-1029771 | Change the atom at index 11 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re3HeN12
_chemical_formula_sum "Ca8 Re3 He1 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.52523426000001... |
ChangeAtomAction | 1b76d103-ae25-473d-b5e5-9e2d75a4abcd | mp-863407 | Change the atom at index 56 into Os in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Li12Fe6Si12O26OsO9
_chemical_formula_sum "Li12 Fe6 Si12 O35 Os1"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | d9a1c9a9-fc4c-419b-ab58-1d804f9dc6ab | mp-625502 | Change the atom at index 12 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O4PtO9
_chemical_formula_sum "H4 W4 O13 Pt1"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999... |
ChangeAtomAction | 13601a8a-ef97-4a6e-b777-c0c9140115ad | mp-1189241 | Change the atom at index 5 into V in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4AsVAs6Au4
_chemical_formula_sum "Gd4 As7 V1 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt ... |
ChangeAtomAction | 0576d291-0e9f-4c6f-89a8-61339a2b74af | mp-1304294 | Change the atom at index 8 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... | data_image0
_chemical_formula_structural Li3Mn2CoO2McO3
_chemical_formula_sum "Li3 Mn2 Co1 O5 Mc1"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.0... |
ChangeAtomAction | 6638e117-5aa3-4f93-84db-ec5412ce2813 | mp-1220773 | Change the atom at index 39 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... | data_image0
_chemical_formula_structural Ni39RfNi3Ge3B12
_chemical_formula_sum "Ni42 Rf1 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma ... |
ChangeAtomAction | c4ef8309-037f-4a97-b07f-97a8be7757d1 | mp-1246779 | Change the atom at index 22 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N8FrN3
_chemical_formula_sum "Ba10 Hf4 N11 Fr1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_... |
ChangeAtomAction | 883034c1-4cd7-4589-be6b-90a0c12c0cb6 | mp-11639 | Change the atom at index 10 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S4NpS
_chemical_formula_sum "Rb4 Ge2 S5 Np1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_... |
ChangeAtomAction | 26a1ec75-a5d6-418e-bca8-22f9e4f1a8f0 | mp-697575 | Change the atom at index 20 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H8HsH7
_chemical_formula_sum "Rb8 Zn4 H15 Hs1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | b98c786c-ae01-4ddf-96f9-c9d0ae7d1893 | mp-1200784 | Change the atom at index 23 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn2H12Cl4O5ZrO16
_chemical_formula_sum "Sn2 H12 Cl4 O21 Zr1"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_... |
ChangeAtomAction | d2340e75-3b37-44c2-81df-e2dc2ef94abb | mp-3824 | Change the atom at index 12 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2SNbS4
_chemical_formula_sum "Ta9 Ni2 S5 Nb1"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt ... |
ChangeAtomAction | 50640042-0c89-4455-92f4-f403c75774d8 | mp-758121 | Change the atom at index 19 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O9AsO8
_chemical_formula_sum "Fe4 C6 O17 As1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_gro... |
ChangeAtomAction | 6ecbad2e-52df-451b-84ba-b9476e9cef03 | mp-1218172 | Change the atom at index 3 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr2NdSAl6O14
_chemical_formula_sum "Sr2 Nd1 S1 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-... |
ChangeAtomAction | e5a5eeb4-26a3-4210-a993-000601694a03 | mp-1214420 | Change the atom at index 11 into Fr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F7FrF4
_chemical_formula_sum "Ba2 Hf2 F11 Fr1"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_grou... |
ChangeAtomAction | 5e107658-dbc8-4f5d-8156-d6379d21534a | mp-29802 | Change the atom at index 40 into Ru in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge12RuGe11
_chemical_formula_sum "Sc4 Ni24 Ge23 Ru1"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_grou... |
ChangeAtomAction | a665a2a1-fb4a-4a9d-bf5e-de4f42a49b56 | mp-1211877 | Change the atom at index 17 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O3TiO12
_chemical_formula_sum "K4 P2 H6 Se2 O15 Ti1"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | ac231a9a-b821-42f4-9be2-97196f796ce2 | mp-774656 | Change the atom at index 2 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2RfLi2Ti6FeO16
_chemical_formula_sum "Li4 Rf1 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 298df4ef-281f-4cea-8ec8-ac91dacbc08e | mp-1442904 | Change the atom at index 2 into Ti in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2TiCuF10
_chemical_formula_sum "Ca2 Ti1 Cu1 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_na... |
ChangeAtomAction | 84a342d3-63a8-45ce-99c2-6a1f08c79a88 | mp-1190477 | Change the atom at index 23 into Rf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K2Li2C8N11Rf
_chemical_formula_sum "K2 Li2 C8 N11 Rf1"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | 0773b3be-8874-4487-8a90-e966906d916f | mp-28297 | Change the atom at index 15 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Nd12S3NeS4Br20
_chemical_formula_sum "Nd12 S7 Ne1 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 8116aa14-6604-44a6-920f-319db6c15d3d | mp-1193572 | Change the atom at index 25 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mg2Mo4N4O15MdO4
_chemical_formula_sum "Mg2 Mo4 N4 O19 Md1"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_... |
ChangeAtomAction | beb23b77-fbc3-4d3f-8090-44c656a6ce7c | mp-1213210 | Change the atom at index 36 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F22AlF19
_chemical_formula_sum "Dy4 Au10 F41 Al1"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685... |
ChangeAtomAction | 68693693-c00b-4cec-a0c0-2dddb69a845b | mp-1094347 | Change the atom at index 1 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural MgMdMg4Ti6
_chemical_formula_sum "Mg5 Md1 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
ChangeAtomAction | 414e517a-09cd-486a-80c9-ea43cac91035 | mp-1028120 | Change the atom at index 10 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg9CsMg4C
_chemical_formula_sum "Ca1 Mg13 Cs1 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt... |
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