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 | d318113b-6e68-44f6-bb45-e9c1d180ecb7 | mp-1174216 | Change the atom at index 14 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural Li4Mn3CoO6BeO
_chemical_formula_sum "Li4 Mn3 Co1 O7 Be1"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.717228... |
ChangeAtomAction | e7a2de90-6e12-4eb3-8a68-80af28c3b277 | mp-558938 | Change the atom at index 35 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O7McO32
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O39 Mc1"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
ChangeAtomAction | 32aa6803-6f6d-4e51-adc5-f785021da700 | mp-1194776 | Change the atom at index 4 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... | data_image0
_chemical_formula_structural Pu2N2BrNO22
_chemical_formula_sum "Pu2 N3 Br1 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space... |
ChangeAtomAction | 4c8c9701-d1c4-42d3-831d-c70e5d147fab | mp-1199114 | Change the atom at index 19 into Og in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Pu4P8H7OgH16C4O32
_chemical_formula_sum "Pu4 P8 H23 Og1 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_sp... |
ChangeAtomAction | c4f5c823-2a72-4962-b9c4-089e625b10ed | mp-2503 | Change the atom at index 4 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd4SiPd9Se8
_chemical_formula_sum "Pd13 Si1 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_n... |
ChangeAtomAction | 0e70d7e4-bf70-4cf5-8bad-665dfcc72523 | mp-1212795 | Change the atom at index 7 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 Eu4In3CsO12
_chemical_formula_sum "Eu4 In3 Cs1 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
ChangeAtomAction | f647f5dd-2c5b-4478-8663-565b043a1f45 | mp-1235566 | Change the atom at index 8 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... | data_image0
_chemical_formula_structural LiSm4Ti2MnNaO12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn1 Na1 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.2849... |
ChangeAtomAction | 0d8feccf-2a13-463f-a887-da65235ecce2 | mp-18607 | Change the atom at index 13 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... | data_image0
_chemical_formula_structural Mn4Te6O3CoO12
_chemical_formula_sum "Mn4 Te6 O15 Co1"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_s... |
ChangeAtomAction | 75d46c79-f08c-43a3-be2b-88f9173dd1d3 | mp-1033383 | Change the atom at index 3 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg3TsMg2NbCO8
_chemical_formula_sum "Mg5 Ts1 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | f0e360f5-c884-4935-b673-29444ba6f250 | mp-1100889 | Change the atom at index 3 into Zr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y3ZrY2B6O14
_chemical_formula_sum "Y5 Zr1 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_... |
ChangeAtomAction | 8cae6052-4df8-4808-a2be-53199054635c | mp-530449 | Change the atom at index 25 into Pt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As4PtAs9O56
_chemical_formula_sum "Ca21 As13 Pt1 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle... |
ChangeAtomAction | 9f270c31-9218-47a1-a93a-156e53fcd968 | mp-1392236 | Change the atom at index 15 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... | data_image0
_chemical_formula_structural Mg2V2P2O9N
_chemical_formula_sum "Mg2 V2 P2 O9 N1"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space... |
ChangeAtomAction | c58274a8-0960-42f3-9d15-9b0bb925bb89 | mp-5214 | Change the atom at index 35 into Sr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O19SrO12
_chemical_formula_sum "Ti4 Te12 O31 Sr1"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_spac... |
ChangeAtomAction | 105d6158-564f-4e27-b78f-7808ad283db3 | mp-1189409 | Change the atom at index 9 into Pm in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb9PmSi6B2
_chemical_formula_sum "Tb9 Pm1 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt ... |
ChangeAtomAction | a4a7781c-4b29-4af6-9e31-94103e578250 | mp-1207606 | Change the atom at index 16 into Mo in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O8MoO3
_chemical_formula_sum "Y1 Fe3 B4 O11 Mo1"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.919... |
ChangeAtomAction | dc890c6b-4c69-4ad9-acfd-086b7d1bc793 | mp-2228450 | Change the atom at index 9 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O3LaO4
_chemical_formula_sum "Mg1 Mn3 Cd2 O7 La1"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890... |
ChangeAtomAction | a0562042-ee7d-4f6f-b734-6858836d8a9a | mp-1193190 | Change the atom at index 19 into Hs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O9HsO8
_chemical_formula_sum "K4 Cr6 O17 Hs1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | c53cca42-5276-4f3f-adb2-808823d79bf5 | mp-1037796 | Change the atom at index 57 into Na in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural CaMg30TiO25NaO6
_chemical_formula_sum "Ca1 Mg30 Ti1 O31 Na1"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 87b16f5f-ee67-4976-994f-001e31db42fa | mp-1213522 | Change the atom at index 87 into Sb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O55SbO12
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O67 Sb1"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
ChangeAtomAction | 6790c052-b7ef-4c4e-9666-647479703b41 | mp-25954 | Change the atom at index 32 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O20YbO3
_chemical_formula_sum "Co6 P6 O23 Yb1"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-... |
ChangeAtomAction | 46700085-befa-4865-a721-8ac43c53cfa0 | mp-15203 | Change the atom at index 72 into Fl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N28FlN3O6
_chemical_formula_sum "Li12 Ca24 W8 N31 Fl1 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_an... |
ChangeAtomAction | 1b719e79-d36b-4eeb-aa8f-b1089af16981 | mp-1238897 | Change the atom at index 18 into Mt in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S6MtS9
_chemical_formula_sum "Ti4 Cr4 Ag4 S15 Mt1"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
... |
ChangeAtomAction | bfd7dca0-10e9-47c3-9f77-1b05e4bb8a9c | mp-1182197 | Change the atom at index 0 into Mc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural McNd3Mn4O12
_chemical_formula_sum "Mc1 Nd3 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 51764048-d987-4836-95ac-fa0941a76e29 | mp-2240397 | Change the atom at index 2 into At in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCdAtBi2O6
_chemical_formula_sum "Mg1 Cd1 At1 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516... |
ChangeAtomAction | ced5497b-0879-46aa-9c16-030c9b91674d | mp-38090 | Change the atom at index 5 into Al in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe5AlFe6Cu6O24
_chemical_formula_sum "Fe11 Al1 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.0971507699... |
ChangeAtomAction | aeccb40f-83f9-4ca9-9a25-c633bd2cc66e | mp-758717 | Change the atom at index 13 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C7ZnO24
_chemical_formula_sum "Li2 Co4 C7 Zn1 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
ChangeAtomAction | d87bbe47-c8a0-449d-977f-21da2d8679d1 | mp-1227255 | Change the atom at index 5 into Se in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2OSeO6
_chemical_formula_sum "Ca1 Ce1 V2 O7 Se1"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_g... |
ChangeAtomAction | 084bde88-9958-4af8-ae0c-14d98f933b87 | mp-8597 | Change the atom at index 30 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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 Sc8B16C6TlC
_chemical_formula_sum "Sc8 B16 C7 Tl1"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | 4badf947-4cd8-43a1-a3b3-3bcceae1a96f | mp-975336 | Change the atom at index 6 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C2HfCS4N4
_chemical_formula_sum "K4 C3 Hf1 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
ChangeAtomAction | 6185942e-fc8f-4dab-8631-35c5114f4ef4 | mp-1200515 | Change the atom at index 25 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si5TbSi10
_chemical_formula_sum "Tb21 Si15"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_gr... |
ChangeAtomAction | 61dfc442-4d87-41e5-8fa6-97d45b6d58b6 | mp-25278 | Change the atom at index 21 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O11FO12
_chemical_formula_sum "V4 S6 O23 F1"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_na... |
ChangeAtomAction | adea70c4-0209-48ad-bb38-92cfe6713b65 | mp-1193266 | Change the atom at index 18 into U in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16UC5N2Cl4
_chemical_formula_sum "Al2 H16 U1 C5 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.0884337... |
ChangeAtomAction | bb3aa0ce-6a84-43cc-b3cb-96b48453451a | mp-755587 | Change the atom at index 8 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O4RbOF2
_chemical_formula_sum "V4 O5 Rb1 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name... |
ChangeAtomAction | 3267a7a1-ea4a-4639-aee0-596954eace5e | mp-1103272 | Change the atom at index 4 into Tc in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4TcSi3Ni4
_chemical_formula_sum "Zr4 Tc1 Si3 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
ChangeAtomAction | 4c2ecbcb-69db-4702-8ca5-9ebab7f3a273 | mp-563041 | Change the atom at index 22 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O4BeO21
_chemical_formula_sum "K2 V6 Cu10 O25 Be1"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space... |
ChangeAtomAction | fde84827-c847-4f99-b11a-9e3201b0f47d | mp-866709 | Change the atom at index 24 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F14NoF
_chemical_formula_sum "K4 Cr2 H4 F15 No1"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 323da9f7-b6b0-4ed5-aa90-838870e427a5 | mp-756511 | Change the atom at index 22 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O10CrO5
_chemical_formula_sum "Li4 V4 B4 O15 Cr1"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 5b569d52-7722-4e67-8034-a9b42005448b | mp-1195233 | Change the atom at index 62 into Ne in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C8NeCN10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C9 Ne1 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma ... |
ChangeAtomAction | dbfadc6e-1e78-41a2-b7dd-8b601701cda5 | mp-3855 | Change the atom at index 8 into In in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8InBe3F16
_chemical_formula_sum "Na8 In1 Be3 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | b9125ec2-0c60-4b05-9823-298dd5ad7e4f | mp-771123 | Change the atom at index 14 into Yb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O2YbO15
_chemical_formula_sum "Sc6 Fe6 O17 Yb1"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_... |
ChangeAtomAction | e5fe6e7b-2f3a-4e87-a42e-9dc85921a9f8 | mp-673347 | Change the atom at index 15 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O7LaO4
_chemical_formula_sum "Nb4 H4 O11 La1"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_... |
ChangeAtomAction | 72479e38-3c0d-4a73-9724-31d0f33a05ff | mp-1214900 | Change the atom at index 51 into Lr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C47LrCl4F40
_chemical_formula_sum "B4 C47 Lr1 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
ChangeAtomAction | 779b1dab-0e05-43ea-b6cd-a14fb2c9dca1 | mp-1247313 | Change the atom at index 29 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 Zn16Ag4N9PrN2
_chemical_formula_sum "Zn16 Ag4 N11 Pr1"
_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 | deb49bb6-56c8-427b-bacf-1d34e5c3df6d | mp-584637 | Change the atom at index 15 into Tb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O7TbO10
_chemical_formula_sum "Cr2 P6 O17 Tb1"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252... |
ChangeAtomAction | 38e7ec6a-78ba-473c-95a5-c4ecf74cecc6 | mp-1224658 | Change the atom at index 37 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe33BrC2
_chemical_formula_sum "Ho4 Fe33 Br1 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 8432bff1-7852-4280-bc7d-35bc777e815d | mp-1102237 | Change the atom at index 4 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_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 Lu2Ga2BrGa5Fe
_chemical_formula_sum "Lu2 Ga7 Br1 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
ChangeAtomAction | 73dbf69a-0c12-4475-9704-91519d1386a8 | mp-769018 | Change the atom at index 69 into Hf in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O45HfO2
_chemical_formula_sum "Li4 Fe8 S12 O47 Hf1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
ChangeAtomAction | c99ca92a-f8df-4696-ae04-fe9828cfdd8e | mp-1193362 | Change the atom at index 0 into Fe in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 FeCe11Se12N4
_chemical_formula_sum "Fe1 Ce11 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
ChangeAtomAction | 115ba23b-ef60-4a45-ba13-e2f5faaa733e | mp-1227612 | Change the atom at index 48 into Ga in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se20GaSe21
_chemical_formula_sum "La18 In10 Se41 Ga1"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.012... |
ChangeAtomAction | c67a7460-5216-4698-b53f-80068b0500a9 | mp-757196 | Change the atom at index 1 into Pu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural HgPuHg2W4O14
_chemical_formula_sum "Hg3 Pu1 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_... |
ChangeAtomAction | 763efc3e-4da6-48c6-acef-b7b2f49f9d7e | mp-1191504 | Change the atom at index 8 into Cl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2ClO15
_chemical_formula_sum "Fe2 S4 N2 Cl1 O15"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_al... |
ChangeAtomAction | 5c90d939-40a3-44cc-b94b-b18c16860522 | mp-771953 | Change the atom at index 6 into Pr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2PrNi5O16
_chemical_formula_sum "Li4 Nb2 Pr1 Ni5 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
ChangeAtomAction | 86e6d524-f59d-4360-afc0-0dcb23243ded | mp-603241 | 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 Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba3TbFe4Si16O40
_chemical_formula_sum "Ba3 Tb1 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.9998... |
ChangeAtomAction | e00488ce-0325-4aca-b878-dc66cc33b573 | mp-755663 | Change the atom at index 16 into N in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O8NO5
_chemical_formula_sum "Ta4 Pb4 O13 N1"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H... |
ChangeAtomAction | af58ca36-19b7-438b-9a10-18862e285a29 | mp-1644899 | Change the atom at index 2 into Te in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li2TeLi3V4C8O24
_chemical_formula_sum "Li5 Te1 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_spac... |
ChangeAtomAction | 4abb04e5-0fdd-4751-b78a-055c0ee49213 | mp-731799 | Change the atom at index 55 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O31NiO4
_chemical_formula_sum "Mg12 C6 Cl6 O35 Ni1"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.8706... |
ChangeAtomAction | da986686-7ecf-4838-bb28-69d9f2d33e14 | mp-1233509 | Change the atom at index 0 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural LiSm4Tm4O12
_chemical_formula_sum "Li1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
ChangeAtomAction | 6109fb23-119c-42ac-b16f-24d5402f3321 | mp-2230445 | Change the atom at index 16 into Bk in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F2BkF2
_chemical_formula_sum "Mg1 Mn6 O7 F4 Bk1"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_s... |
ChangeAtomAction | c4b8f0b0-4b87-4c72-93b5-292252eff137 | mp-1033378 | Change the atom at index 12 into Re in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO4ReO3
_chemical_formula_sum "Mg6 Cr1 Bi1 O7 Re1"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 67b4f626-e40e-4874-8feb-05a58cdc8a73 | mp-555231 | Change the atom at index 28 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O10ZnO21
_chemical_formula_sum "Ba6 Bi4 P8 O31 Zn1"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737... |
ChangeAtomAction | 1cba93ee-2e56-4473-bf70-3bb3247d1d21 | mp-1175381 | Change the atom at index 10 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9CoTsCo5O16
_chemical_formula_sum "Li9 Co6 Ts1 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_s... |
ChangeAtomAction | 68b6eb70-edaa-4d85-95f1-ffe078fa3616 | mp-1523289 | Change the atom at index 13 into Si in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O7SiO4
_chemical_formula_sum "Ba1 Ca1 Sn4 O11 Si1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_... |
ChangeAtomAction | 77536a46-9fd7-4fa7-b64b-17e0080d7e8b | mp-607917 | Change the atom at index 15 into No in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La15NoLa5Fe8Sn7C12
_chemical_formula_sum "La20 No1 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
ChangeAtomAction | 8f6db1be-101a-461e-ad9e-8c34a2a83a93 | mp-759596 | Change the atom at index 4 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4BBi3P8O28
_chemical_formula_sum "Li4 B1 Bi3 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
ChangeAtomAction | f2bd7d9e-adca-4542-afb8-63f6c7a45702 | mp-1207656 | 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 Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4PtHfPt2F28
_chemical_formula_sum "Y4 Pt3 Hf1 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | f9009410-1eb0-434b-947d-898e33008fb2 | mp-1227411 | Change the atom at index 17 into Zn 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 Ba2Sr2Ni2W2O9ZnO2
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O11 Zn1"
_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 59.9996... |
ChangeAtomAction | e68bd9d2-f542-4be8-9ec2-dc9bbbb4a209 | mp-1111394 | Change the atom at index 7 into La in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF3LaF2
_chemical_formula_sum "Cs1 Rb2 Ir1 F5 La1"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
ChangeAtomAction | c72eb56c-7e3a-4022-a7f3-4ac9ad2bba0e | mp-30902 | Change the atom at index 17 into Be in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O9BeO4
_chemical_formula_sum "Er4 Ru4 O13 Be1"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
ChangeAtomAction | f9347a4f-0c85-4021-84d5-fcf36d9e979b | mp-772438 | Change the atom at index 1 into Hg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LiHgLi6Co8P8O32
_chemical_formula_sum "Li7 Hg1 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
ChangeAtomAction | 02134ec7-79c6-402a-9a6b-f07971e67804 | mp-1209996 | Change the atom at index 4 into Am in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4AmMo3O8
_chemical_formula_sum "Nd4 Am1 Mo3 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group... |
ChangeAtomAction | 58c3e7ca-f3c1-40fd-a425-0e65fe442a2f | mp-1239200 | Change the atom at index 44 into Br in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S20BrS11
_chemical_formula_sum "Na8 Cr16 S31 Br1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
ChangeAtomAction | 755487ee-0fb3-4207-be4d-df4847418a2d | mp-1110899 | Change the atom at index 0 into Kr 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 KrKLiSbBr6
_chemical_formula_sum "Kr1 K1 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 59.9... |
ChangeAtomAction | 4d1f0bed-e61e-4545-bbfc-c694bcd2e57b | mp-760242 | Change the atom at index 1 into He in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural LiHeV2O2F8
_chemical_formula_sum "Li1 He1 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space... |
ChangeAtomAction | e15e5fa9-eddd-4ab1-906e-5f4e8ce95bc7 | mp-767720 | Change the atom at index 33 into C in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O13CO12
_chemical_formula_sum "Li4 V8 Si8 O25 C1"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_... |
ChangeAtomAction | 7053e741-ef60-45a9-837d-bf00001708a7 | mp-560925 | Change the atom at index 25 into Cu in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F9CuF18
_chemical_formula_sum "Na10 Fe6 F27 Cu1"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
ChangeAtomAction | dd66166f-768c-4d3f-abd1-d1dad8720242 | mp-1221912 | Change the atom at index 7 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3SLiS6
_chemical_formula_sum "Mn2 Cr1 Ga3 S7 Li1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000... |
ChangeAtomAction | 3653ab73-e535-45fc-a33e-740489f6680e | mp-1223870 | Change the atom at index 8 into Kr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al4KrAlPd2
_chemical_formula_sum "Hf4 Al5 Kr1 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name... |
ChangeAtomAction | 607b5b37-7df4-4826-bd3d-f4eafeb2b634 | mp-8876 | Change the atom at index 4 into Co in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4CoAl5SO12
_chemical_formula_sum "Ca4 Co1 Al5 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
ChangeAtomAction | 351d8bb7-8b93-4722-a1eb-e5fadcf7fbd2 | mp-1180875 | Change the atom at index 11 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N9RbN2O32
_chemical_formula_sum "Mn2 N11 Rb1 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
ChangeAtomAction | 3a1ceccf-b30b-4316-87f8-3d8b3ae31671 | mp-1204905 | Change the atom at index 2 into Tl in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y2TlYAl6Co28
_chemical_formula_sum "Y3 Tl1 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt ... |
ChangeAtomAction | ddefb5cd-bb97-471c-b867-7648b7bab113 | mp-1305320 | Change the atom at index 15 into Sn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li15SnCo2O10F2
_chemical_formula_sum "Li15 Sn1 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_sp... |
ChangeAtomAction | b601fde5-d32f-4cbe-be1c-f593e8449a00 | mp-1113545 | Change the atom at index 6 into Rg in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI2RgI3
_chemical_formula_sum "Rb2 Hg1 As1 I5 Rg1"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
ChangeAtomAction | 1b0e64f0-d7ce-485f-b81d-b0e58f5e696a | mp-776358 | Change the atom at index 39 into Li in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O17LiO14
_chemical_formula_sum "Li9 Mn4 C8 S2 O31"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.4... |
ChangeAtomAction | 493d7395-aa62-48fe-9fcb-e9391491123f | mp-26721 | Change the atom at index 11 into B in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4OBO14
_chemical_formula_sum "Li4 Nb2 P4 O15 B1"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H... |
ChangeAtomAction | b09b3d52-013e-4453-a5c8-0343b27f3e54 | mp-1197552 | Change the atom at index 11 into Md in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb3MdSe20
_chemical_formula_sum "U8 Pb3 Md1 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
ChangeAtomAction | dd18d450-823d-4bbf-95d9-ccefdf7a1215 | mp-861986 | Change the atom at index 18 into Ts in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru4TsRu
_chemical_formula_sum "Pr10 Al4 Ru5 Ts1"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
ChangeAtomAction | fab9401b-b184-488f-abb8-1b161092a7d0 | mp-1355331 | Change the atom at index 11 into Zn in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H5ZnH4Os4O16
_chemical_formula_sum "Sr6 H9 Zn1 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6... |
ChangeAtomAction | eb299ec6-0ac3-4e42-8b11-8e95f81bc1c2 | mp-756284 | 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 Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li2RfLiCo4B4O12
_chemical_formula_sum "Li3 Rf1 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561... |
ChangeAtomAction | 1f2e07b1-1306-4105-9c88-edb89adfa0f7 | mp-1202862 | Change the atom at index 24 into As in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N8AsN3O8
_chemical_formula_sum "Co4 S12 N11 As1 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
ChangeAtomAction | 57156077-439f-4d1c-ad11-2deda308bedd | mp-1209468 | Change the atom at index 7 into Cs in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr7CsRh2
_chemical_formula_sum "Pr7 Cs1 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
ChangeAtomAction | 954a0261-476a-462e-a85d-9fd5a7d46d73 | mp-1207687 | Change the atom at index 16 into S in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In8SIn3
_chemical_formula_sum "Zr8 In11 S1"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_... |
ChangeAtomAction | 99075cf8-e12c-4717-a740-911ed0c78da8 | mp-1213028 | Change the atom at index 3 into Cr in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn2CrMn3Sn4Ge2
_chemical_formula_sum "Er1 Mn5 Cr1 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-... |
ChangeAtomAction | 3aa1fa71-88db-4903-81dd-8dff0ede8cdb | mp-771449 | Change the atom at index 25 into Rb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O13RbO6
_chemical_formula_sum "Mn8 P4 O19 Rb1"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_... |
ChangeAtomAction | 62ae8f0c-af03-48ec-8e9f-f4234ce2be58 | mp-28507 | Change the atom at index 29 into F in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb13FS44
_chemical_formula_sum "La16 Nb13 F1 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_a... |
ChangeAtomAction | 89ab848d-3c4d-46e1-a6ba-802356424e39 | mp-31486 | Change the atom at index 7 into Nb in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural K7NbSn4Bi4
_chemical_formula_sum "K7 Nb1 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
ChangeAtomAction | 93b76f7a-ecad-4f9e-befb-bc6d21188138 | mp-557123 | Change the atom at index 54 into Gd 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 Na8Cu4Si12O30GdO
_chemical_formula_sum "Na8 Cu4 Si12 O31 Gd1"
_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 | 7e324ecc-f4b8-4577-bb3e-a8575d471a01 | mp-554002 | Change the atom at index 5 into Ds in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H3DsH2O6
_chemical_formula_sum "Al2 H5 Ds1 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_n... |
ChangeAtomAction | 00afb3f5-159c-49c6-8906-b4df128701c4 | mp-1214900 | Change the atom at index 11 into Ba in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C7BaC40Cl4F40
_chemical_formula_sum "B4 C47 Ba1 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
ChangeAtomAction | a08e8277-4d74-4fce-a3de-4f4548f125c0 | mp-1227442 | Change the atom at index 9 into Np in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O3NpO
_chemical_formula_sum "Be2 B1 H3 O4 Np1"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_spa... |
ChangeAtomAction | 1f0c6d94-b5a4-41a2-b8ad-ef0ad0d26752 | mp-1191389 | Change the atom at index 17 into Ni in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O9NiO6
_chemical_formula_sum "Pr4 V4 O15 Ni1"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_n... |
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