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 |
|---|---|---|---|---|---|
AddAtomAction | a03761d7-28ce-4261-bd53-f226b7cbc38d | mp-1195898 | Add one Ho atom at the Cartesian coordinate [2.251 0.048 0.266] to the cif file. | data_image0
_chemical_formula_structural Na32Fe8O24
_chemical_formula_sum "Na32 Fe8 O24"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na32Fe8O24Ho
_chemical_formula_sum "Na32 Fe8 O24 Ho1"
_cell_length_a 8.27161625
_cell_length_b 10.735101730000002
_cell_length_c 11.804437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.32355269
_space_group_nam... |
AddAtomAction | c33e20cc-d820-459d-9d02-0f412b640e91 | mp-2589 | Add one Pm atom at the Cartesian coordinate [3.382 3.233 3.863] to the cif file. | data_image0
_chemical_formula_structural Mg4O8
_chemical_formula_sum "Mg4 O8"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_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 Mg4O8Pm
_chemical_formula_sum "Mg4 O8 Pm1"
_cell_length_a 4.82861247
_cell_length_b 4.82861247
_cell_length_c 4.82861247
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
AddAtomAction | 1575e416-8715-4c99-ac2f-07a55850561e | mp-761038 | Add one Ru atom at the Cartesian coordinate [6.233 6.365 5.125] to the cif file. | data_image0
_chemical_formula_structural Li10Ni4P6O24
_chemical_formula_sum "Li10 Ni4 P6 O24"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_group_... | data_image0
_chemical_formula_structural Li10Ni4P6O24Ru
_chemical_formula_sum "Li10 Ni4 P6 O24 Ru1"
_cell_length_a 8.318733
_cell_length_b 8.35928295
_cell_length_c 9.17467443
_cell_angle_alpha 63.41981986
_cell_angle_beta 63.34008638
_cell_angle_gamma 60.19371216
_space_... |
AddAtomAction | 36d909c2-7177-4b4e-8def-93c3a8402a33 | mp-1194528 | Add one Br atom at the Cartesian coordinate [6.112 3.714 0.136] to the cif file. | data_image0
_chemical_formula_structural Dy2Fe12Sn12
_chemical_formula_sum "Dy2 Fe12 Sn12"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy2Fe12Sn12Br
_chemical_formula_sum "Dy2 Fe12 Sn12 Br1"
_cell_length_a 10.3699004
_cell_length_b 10.3699004
_cell_length_c 5.412103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 128.86439674
_space_group_name_H-M_a... |
AddAtomAction | b8147442-59cd-4d93-93f4-65c715f08f30 | mp-2212246 | Add one Zn atom at the Cartesian coordinate [0.858 1.336 6.085] to the cif file. | data_image0
_chemical_formula_structural Sr8Nb4O18
_chemical_formula_sum "Sr8 Nb4 O18"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.00006697999999
_sp... | data_image0
_chemical_formula_structural Sr8Nb4O18Zn
_chemical_formula_sum "Sr8 Nb4 O18 Zn1"
_cell_length_a 5.90872405
_cell_length_b 5.90872062
_cell_length_c 15.762812549999998
_cell_angle_alpha 90.00005021
_cell_angle_beta 89.99995657
_cell_angle_gamma 120.0000669799999... |
AddAtomAction | 89b872ab-5380-410d-82fb-14fe8a0ab9f2 | mp-1237973 | Add one Bi atom at the Cartesian coordinate [3.555 5.968 2.681] to the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6Bi
_chemical_formula_sum "Y2 Mg2 S6 Bi1"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_gro... |
AddAtomAction | 5c5e3769-f501-4712-bee2-787fd9aafcc3 | mp-543011 | Add one B atom at the Cartesian coordinate [46.812 3.588 2.274] to the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7B
_chemical_formula_sum "Zn7 S7 B1"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_sp... |
AddAtomAction | e46dd5e2-344e-4e1e-8547-844d6c95e884 | mp-1191430 | Add one Sr atom at the Cartesian coordinate [7.03 4.673 3.423] to the cif file. | data_image0
_chemical_formula_structural Cu4Cl12O8
_chemical_formula_sum "Cu4 Cl12 O8"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu4Cl12O8Sr
_chemical_formula_sum "Cu4 Cl12 O8 Sr1"
_cell_length_a 10.034075
_cell_length_b 5.768547
_cell_length_c 8.95964876
_cell_angle_alpha 69.11527901
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | bd4a9556-7ed4-476a-900c-ed09144f73ef | mp-1245289 | Add one Ts atom at the Cartesian coordinate [0.276 2.953 0.986] to the cif file. | data_image0
_chemical_formula_structural Cr8Fe24O48
_chemical_formula_sum "Cr8 Fe24 O48"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_space_gr... | data_image0
_chemical_formula_structural Cr8Fe24O48Ts
_chemical_formula_sum "Cr8 Fe24 O48 Ts1"
_cell_length_a 9.89420268
_cell_length_b 9.75812442
_cell_length_c 10.41023344
_cell_angle_alpha 97.09655927
_cell_angle_beta 92.28434856
_cell_angle_gamma 92.56407816000001
_sp... |
AddAtomAction | 115b3e00-f589-4616-8f20-c54ccc68053b | mp-1035479 | Add one Eu atom at the Cartesian coordinate [3.811 6.399 7.73 ] to the cif file. | data_image0
_chemical_formula_structural RbLiMg14O15
_chemical_formula_sum "Rb1 Li1 Mg14 O15"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural RbLiMg14O15Eu
_chemical_formula_sum "Rb1 Li1 Mg14 O15 Eu1"
_cell_length_a 4.204973
_cell_length_b 8.266132
_cell_length_c 10.351018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 3582ecac-115c-4a6e-b78c-dc6b86bafa66 | mp-1207356 | Add one V atom at the Cartesian coordinate [ 3.636 4.269 21.055] to the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6V
_chemical_formula_sum "Rb1 Tm3 O6 V1"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P... |
AddAtomAction | 5f747591-0d2a-40e8-8f58-0c29815b6b92 | mp-1200969 | Add one Mt atom at the Cartesian coordinate [5.351 9.011 2.052] to the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40Mt
_chemical_formula_sum "B12 Pb12 N4 O40 Mt1"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 5b0d384a-2df6-40bb-bd92-7c4e5967bc84 | mp-1237178 | Add one Sn atom at the Cartesian coordinate [-1.628 3.451 4.488] to the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6Sn
_chemical_formula_sum "Hf3 Ni1 F6 Sn1"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
... |
AddAtomAction | 6d2079ce-34e8-44cc-98b6-6a4d09773800 | mp-28408 | Add one Hs atom at the Cartesian coordinate [2.999 4.781 4.972] to the cif file. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12Hs
_chemical_formula_sum "K4 Tc4 Cl12 Hs1"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.290123829... |
AddAtomAction | 2a49d60f-8143-4518-8153-b476c7b7fcaf | mp-1021403 | Add one Pb atom at the Cartesian coordinate [3.848 3.042 7.596] to the cif file. | data_image0
_chemical_formula_structural Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_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 Li2Mg12Sn2Pb
_chemical_formula_sum "Li2 Mg12 Sn2 Pb1"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 7ab56f37-2b42-4e03-a90e-69ddac98a8d0 | mp-20250 | Add one Y atom at the Cartesian coordinate [5.174 1.756 1.233] to the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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_I... | data_image0
_chemical_formula_structural Pd8S8Y
_chemical_formula_sum "Pd8 S8 Y1"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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... |
AddAtomAction | 509d03cf-29ef-4d97-aa13-5fe0ebed076d | mp-1352636 | Add one Mn atom at the Cartesian coordinate [0.14 7.992 4.416] to the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36Mn
_chemical_formula_sum "Y4 Cr12 O36 Mn1"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_n... |
AddAtomAction | f5a0e89d-1e65-4097-a52b-dfe227ca9b66 | mp-1112917 | Add one Rb atom at the Cartesian coordinate [5.919 3.69 1.391] to the cif file. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6Rb
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6 Rb1"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | db78a451-8889-4675-b3c4-20967a8e28f3 | mp-1247259 | Add one I atom at the Cartesian coordinate [6.161 0.751 1.594] to the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6I
_chemical_formula_sum "Ca6 Rh2 N6 I1"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_a... |
AddAtomAction | 7aaf807d-2e66-4374-af0c-935f4d457db7 | mp-1173764 | Add one Ts atom at the Cartesian coordinate [5.281 3.424 5.682] to the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Ts
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24 Ts1"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047... |
AddAtomAction | 633945f7-55dc-4b39-9a40-d65348e02e59 | mp-1196133 | Add one Ne atom at the Cartesian coordinate [ 8.163 0.725 22.426] to the cif file. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4Ne
_chemical_formula_sum "U8 P4 Cl44 O4 Ne1"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 94bbf94d-4db2-4f6c-afb0-ce34bad0671c | mp-1192809 | Add one V atom at the Cartesian coordinate [5.317 7.255 2.617] to the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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... | data_image0
_chemical_formula_structural Ag4N12O12V
_chemical_formula_sum "Ag4 N12 O12 V1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | 958d1a6b-d2ed-4316-8866-ee21c303ba48 | mp-989637 | Add one Cd atom at the Cartesian coordinate [7.193 3.844 2.341] to the cif file. | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... | data_image0
_chemical_formula_structural Ba4Re4N12Cd
_chemical_formula_sum "Ba4 Re4 N12 Cd1"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
... |
AddAtomAction | 455b57f4-df02-446e-b5d6-75c2913b5083 | mp-1411320 | Add one Lu atom at the Cartesian coordinate [6.954 1.394 2.997] to the cif file. | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... | data_image0
_chemical_formula_structural Y2V4O8Lu
_chemical_formula_sum "Y2 V4 O8 Lu1"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
... |
AddAtomAction | efa83cda-3541-49d3-af9f-c5dc7cbe34aa | mp-1246013 | Add one Cd atom at the Cartesian coordinate [7.633 0.289 2.987] to the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6Cd
_chemical_formula_sum "V2 C3 N6 Cd1"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M... |
AddAtomAction | 3c5d671b-f473-4304-863f-c08687f7d774 | mp-613 | Add one Pd atom at the Cartesian coordinate [0.342 6.051 3.095] to the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd7
_chemical_formula_sum "Te4 Pd7"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... |
AddAtomAction | 9d296ebb-469d-4751-9075-07c3267fb4ef | mp-1357031 | Add one Mg atom at the Cartesian coordinate [-2.259 3.712 7.567] to the cif file. | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18Mg
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18 Mg1"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1... |
AddAtomAction | 0fc115a0-1c49-4e3c-a204-a8ea5c779872 | mp-2230736 | Add one Li atom at the Cartesian coordinate [ 2.297 -1.837 8.451] to the cif file. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10Li
_chemical_formula_sum "Rb4 Mg1 V4 O10 Li1"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000... |
AddAtomAction | 1a063e64-d818-4263-b572-b492a358fd8b | mp-752888 | Add one P atom at the Cartesian coordinate [1.111 4.568 6.137] to the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8P
_chemical_formula_sum "Li4 Cu2 Si2 O8 P1"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-... |
AddAtomAction | 366c780a-3433-49e5-a54c-71f58db61d95 | mp-1103256 | Add one Zr atom at the Cartesian coordinate [ 2.839 -1.237 5.408] to the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Zr
_chemical_formula_sum "Fe4 Sb4 Se4 Zr1"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 10f75bad-8b79-427d-9397-0710445af63c | mp-1233440 | Add one Be atom at the Cartesian coordinate [5.09 3.603 6.805] to the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18Be
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18 Be1"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_nam... |
AddAtomAction | 9ffbaea4-96b0-426f-9a21-916012d74582 | mp-775903 | Add one Es atom at the Cartesian coordinate [-0.031 2.064 5.275] to the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Es
_chemical_formula_sum "Li8 Mn4 P8 O28 Es1"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
... |
AddAtomAction | 05e6b07f-2a5c-4653-8fd0-d058ceb00ef4 | mp-1233765 | Add one Lu atom at the Cartesian coordinate [-0.807 0.163 6.128] to the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4Lu
_chemical_formula_sum "Mg1 H20 Br4 N4 O4 Lu1"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.772341... |
AddAtomAction | f030e1a5-5294-4dd7-8c19-42cea37638e3 | mp-530953 | Add one Ds atom at the Cartesian coordinate [ 7.026 4.088 12.274] to the cif file. | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... | data_image0
_chemical_formula_structural Ho16Ti8O40Ds
_chemical_formula_sum "Ho16 Ti8 O40 Ds1"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_s... |
AddAtomAction | b28db556-a2f0-4cb7-ad5c-70af942c60f5 | mp-1233593 | Add one Bi atom at the Cartesian coordinate [-0.448 0.349 4.841] to the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Bi
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 Bi1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378... |
AddAtomAction | ff38f61c-ccc9-410a-a58c-cbe0d6135631 | mp-1209821 | Add one Pm atom at the Cartesian coordinate [4.895 4.084 3.201] to the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8Pm
_chemical_formula_sum "Np4 Ge4 O8 Pm1"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group... |
AddAtomAction | d0a456bc-806f-47e0-99a8-9b3600e485c1 | mp-1200885 | Add one Mo atom at the Cartesian coordinate [ 1.956 10.605 7.701] to the cif file. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28Mo
_chemical_formula_sum "Y16 C28 Mo1"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 3952f00c-3410-4b7a-821c-3dc420523b1a | mp-1213955 | Add one W atom at the Cartesian coordinate [ 0.336 3.733 11.748] to the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20W
_chemical_formula_sum "Cd4 N4 O20 W1"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
AddAtomAction | fb4b7d94-e682-4174-b974-c8bab6f95bf3 | mp-43188 | Add one Si atom at the Cartesian coordinate [3.702 0.082 3.987] to the cif file. | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_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 Na8BeAl4Si7Br2O24Si
_chemical_formula_sum "Na8 Be1 Al4 Si8 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 73f69923-5160-476b-8623-6360253b44f5 | mp-27911 | Add one Cu atom at the Cartesian coordinate [1.368 4.625 2.898] to the cif file. | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4As4O16Cu
_chemical_formula_sum "Bi4 As4 O16 Cu1"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
AddAtomAction | e8fd6ada-80e6-4012-8e2f-f8e6cba4583f | mp-1217365 | Add one Th atom at the Cartesian coordinate [30.787 3.73 1.835] to the cif file. | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... | data_image0
_chemical_formula_structural ThZr2U2O10Th
_chemical_formula_sum "Th2 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.078482... |
AddAtomAction | 1a10e29f-d92a-4998-8f0d-0d06aae04598 | mp-1228099 | Add one Ga atom at the Cartesian coordinate [0.569 1.597 7.719] to the cif file. | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... | data_image0
_chemical_formula_structural Ba6Al6F30Ga
_chemical_formula_sum "Ba6 Al6 F30 Ga1"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_... |
AddAtomAction | af7f2b49-be23-4737-96de-6724f0dbb6ff | mp-1195795 | Add one Rb atom at the Cartesian coordinate [11.653 1.432 7.777] to the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22Rb
_chemical_formula_sum "La4 Y11 S22 Rb1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_s... |
AddAtomAction | c7c8f8e5-2746-45be-b134-934d43cd1a55 | mp-849617 | Add one Al atom at the Cartesian coordinate [-0.685 6.55 2.642] to the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... | data_image0
_chemical_formula_structural Li4Fe8B8O24Al
_chemical_formula_sum "Li4 Fe8 B8 O24 Al1"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_s... |
AddAtomAction | 137c041d-27f8-4dd5-a3ad-8f0c60472f16 | mp-1100579 | Add one S atom at the Cartesian coordinate [ 0.567 5.874 16.652] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16S
_chemical_formula_sum "Li9 Mn2 Co5 O16 S1"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 47b27377-1525-4ea4-8cf4-7966d702c906 | mp-1173638 | Add one I atom at the Cartesian coordinate [3.089 5.86 0.537] to the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20I
_chemical_formula_sum "Sr10 Cu1 Ru4 O20 I1"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma ... |
AddAtomAction | 6ff46b04-4f91-4d37-9df4-892ecbcd9d3c | mp-1211409 | Add one Cr atom at the Cartesian coordinate [2.099 8.089 7.624] to the cif file. | data_image0
_chemical_formula_structural K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_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 K4Tb4Mo8O32Cr
_chemical_formula_sum "K4 Tb4 Mo8 O32 Cr1"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | bcdcc7ba-e630-4859-9bf4-b5a58a0f5c43 | mp-1026412 | Add one Gd atom at the Cartesian coordinate [2.316 3.385 4.095] to the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnGd
_chemical_formula_sum "Ba1 Mg14 Sn1 Gd1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_... |
AddAtomAction | 87d667f8-93f1-425b-bee8-b24d18bb63c5 | mp-776026 | Add one H atom at the Cartesian coordinate [5.46 6.215 1.411] to the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 Li8Fe8F24H
_chemical_formula_sum "Li8 Fe8 F24 H1"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | 7f81c21a-b7a4-4ebe-9ea1-d0b6ffc2fd2e | mp-1519680 | Add one Ir atom at the Cartesian coordinate [1.801 1.717 2.322] to the cif file. | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaTi4O12Ir
_chemical_formula_sum "Na1 La1 Ti4 O12 Ir1"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M... |
AddAtomAction | 7ee492ba-e185-4564-aca5-fabbf0dc69da | mp-771159 | Add one Er atom at the Cartesian coordinate [8.297 6.025 4.183] to the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Er
_chemical_formula_sum "Li4 V6 W2 O16 Er1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
AddAtomAction | ba386201-3d72-441c-9cf9-06d23ef5e44e | mp-16136 | Add one Cd atom at the Cartesian coordinate [-1.497 2.782 3.072] to the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Cd
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14 Cd1"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_g... |
AddAtomAction | 196e8cd4-8ed9-4a08-995f-227182b72f00 | mp-675042 | Add one At atom at the Cartesian coordinate [ 6.419 1.91 14.851] to the cif file. | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... | data_image0
_chemical_formula_structural Mg16Ti8O8At
_chemical_formula_sum "Mg16 Ti8 O8 At1"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.1075124999... |
AddAtomAction | 1bb50fa8-ab21-454b-adbe-4c971c8f27b8 | mp-1103868 | Add one Ar atom at the Cartesian coordinate [3.237 3.861 0.659] to the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12Ar
_chemical_formula_sum "Zn1 Re2 O12 Ar1"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_... |
AddAtomAction | 3a32be79-fffe-4d69-9d9f-e859e90938f5 | mp-616196 | Add one Np atom at the Cartesian coordinate [7.461 3.561 7.018] to the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6Np
_chemical_formula_sum "Os2 C6 I4 O6 Np1"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_grou... |
AddAtomAction | ed938712-81d5-4046-a71e-8c19af0e24b3 | mp-559695 | Add one Pu atom at the Cartesian coordinate [6.274 4.837 3.725] to the cif file. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6Pu
_chemical_formula_sum "Cs2 Rb1 Bi1 F6 Pu1"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
AddAtomAction | c77a5227-1641-404a-a2cb-11f1add0c373 | mp-850538 | Add one Rn atom at the Cartesian coordinate [13.09 9.028 5.724] to the cif file. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24Rn
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24 Rn1"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60... |
AddAtomAction | b21bd002-fc16-4385-bb14-216495a893c6 | mp-1190089 | Add one Te atom at the Cartesian coordinate [ 6.864 7.198 12.034] to the cif file. | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs2Hf4Br18Te
_chemical_formula_sum "Cs2 Hf4 Br18 Te1"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | cbf8afba-f4e0-4e9d-aea2-cac3e049c72c | mp-1219192 | Add one Cm atom at the Cartesian coordinate [1.994 0.447 2.561] to the cif file. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6Cm
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6 Cm1"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space... |
AddAtomAction | 7a42172c-f7d4-427d-84c2-c0983f2a2ceb | mp-29239 | Add one N atom at the Cartesian coordinate [4.364 2.251 5.635] to the cif file. | data_image0
_chemical_formula_structural Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_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 Lu4B8Ru4N
_chemical_formula_sum "Lu4 B8 Ru4 N1"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 7ce5e8a2-64b0-4955-90cd-80642c68d124 | mp-555986 | Add one Rb atom at the Cartesian coordinate [0.032 2.837 1.365] to the cif file. | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... | data_image0
_chemical_formula_structural As2C2S6N4F22Rb
_chemical_formula_sum "As2 C2 S6 N4 F22 Rb1"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.086695239... |
AddAtomAction | 0b967517-11ac-4725-959c-a930736a7792 | mp-1223688 | Add one Ga atom at the Cartesian coordinate [-1.841 6.875 3.823] to the cif file. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30Ga
_chemical_formula_sum "La2 Fe10 Bi8 O30 Ga1"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975... |
AddAtomAction | c0a66847-8227-445f-8893-aef7e0f8ee57 | mp-698063 | Add one Sg atom at the Cartesian coordinate [ 4.88 -0.888 2.86 ] to the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Sg
_chemical_formula_sum "Na8 P8 H8 O28 Sg1"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
... |
AddAtomAction | 11f3370c-1f05-4054-b275-3fa3d0e9dae6 | mp-1226178 | Add one Sg atom at the Cartesian coordinate [0.64 0.217 6.01 ] to the cif file. | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... | data_image0
_chemical_formula_structural Cr12BP3Sg
_chemical_formula_sum "Cr12 B1 P3 Sg1"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_... |
AddAtomAction | 8d0dc408-6c7e-4645-b17a-dd66f3765855 | mp-2219347 | Add one Tm atom at the Cartesian coordinate [ 3.138 0.464 29.651] to the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4Tm
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4 Tm1"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444... |
AddAtomAction | 38d0fb21-fbcb-4aca-ae08-cd770126d1f8 | mp-757032 | Add one Cl atom at the Cartesian coordinate [5.573 1.52 6.269] to the cif file. | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... | data_image0
_chemical_formula_structural Cs6Er2O6Cl
_chemical_formula_sum "Cs6 Er2 O6 Cl1"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
... |
AddAtomAction | f0511f8a-efde-48a8-8445-f2b5a7d82fd7 | mp-1223717 | Add one Re atom at the Cartesian coordinate [1.878 4.012 0.547] to the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24Re
_chemical_formula_sum "K2 Al6 Si6 H4 O24 Re1"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 11... |
AddAtomAction | 9204a45e-b7e9-454a-9574-cdefc2f79d36 | mp-757836 | Add one Rf atom at the Cartesian coordinate [2.543 4.539 7.303] to the cif file. | data_image0
_chemical_formula_structural Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_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 Be4H8Se4O16Rf
_chemical_formula_sum "Be4 H8 Se4 O16 Rf1"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 5910a372-217d-494e-a085-8a015deabe27 | mp-29399 | Add one Ra atom at the Cartesian coordinate [2.874 2.613 0.603] to the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... | data_image0
_chemical_formula_structural Mn4Ni2O8Ra
_chemical_formula_sum "Mn4 Ni2 O8 Ra1"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000... |
AddAtomAction | 4002e9db-b871-4de2-a846-c7531dfa35a0 | mp-1043461 | Add one Nh atom at the Cartesian coordinate [ 1.078 7.643 11.078] to the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 Ni4Sb4P8O36Nh
_chemical_formula_sum "Ni4 Sb4 P8 O36 Nh1"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 09b42c26-19fb-44d5-8b01-2c903ddf7181 | mp-769705 | Add one Rg atom at the Cartesian coordinate [3.186 1.53 2.612] to the cif file. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4Co8O16Rg
_chemical_formula_sum "Cd4 Co8 O16 Rg1"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_... |
AddAtomAction | 8075c686-74f4-4fc9-88be-74f53e5d9fe2 | mp-862697 | Add one Ca atom at the Cartesian coordinate [3.037 5.95 0.714] to the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4Ca
_chemical_formula_sum "Er4 Mg2 Ge4 Ca1"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | a39249fe-3a60-42a7-a22f-fd649fb68031 | mp-1567262 | Add one Og atom at the Cartesian coordinate [0.822 7.235 0.578] to the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Og
_chemical_formula_sum "Li4 Mn4 Sb2 O12 Og1"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835... |
AddAtomAction | 92f2cd99-fc92-49db-82d6-77967d03642d | mp-780766 | Add one H atom at the Cartesian coordinate [ 2.6 3.777 14.204] to the cif file. | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... | data_image0
_chemical_formula_structural Fe10O9F11H
_chemical_formula_sum "Fe10 O9 F11 H1"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_... |
AddAtomAction | 753e7297-7f06-45d1-a8e9-d8c75191a66b | mp-1199851 | Add one K atom at the Cartesian coordinate [5.164 6.859 9.342] to the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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... | data_image0
_chemical_formula_structural Er4C12O32K
_chemical_formula_sum "Er4 C12 O32 K1"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | 6f247648-8346-45b8-a95c-f64550dbef16 | mp-1111085 | Add one Ra atom at the Cartesian coordinate [7.121 3.329 4.12 ] to the cif file. | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... | data_image0
_chemical_formula_structural Na2VAuF6Ra
_chemical_formula_sum "Na2 V1 Au1 F6 Ra1"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_... |
AddAtomAction | ee00d00a-e6d7-4b38-a904-c1a85f5332f7 | mp-1073789 | Add one Ta atom at the Cartesian coordinate [11.475 3.352 5.102] to the cif file. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6Ta
_chemical_formula_sum "Mg6 Si6 Ta1"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
... |
AddAtomAction | c2d78e60-9179-49ab-a26a-23e8d43793ba | mp-758607 | Add one Rb atom at the Cartesian coordinate [2.111 1.275 1.569] to the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 Li4Co4Si4O16Rb
_chemical_formula_sum "Li4 Co4 Si4 O16 Rb1"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | ff72f064-42b6-409b-a39e-884f6baebea2 | mp-19442 | Add one Zr atom at the Cartesian coordinate [5.336 3.852 2.999] to the cif file. | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... | data_image0
_chemical_formula_structural MnNi6O8Zr
_chemical_formula_sum "Mn1 Ni6 O8 Zr1"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_s... |
AddAtomAction | 44424418-83a6-4db8-b143-5c072c4a7790 | mp-1027074 | Add one Mt atom at the Cartesian coordinate [ 1.911 2.366 29.75 ] to the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2Mt
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2 Mt1"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_g... |
AddAtomAction | 8dad92c3-4250-4a6e-9381-684b238f1620 | mp-556532 | Add one Ts atom at the Cartesian coordinate [0.124 5.655 3.553] to the cif file. | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al2B6O14Ts
_chemical_formula_sum "Ca2 Al2 B6 O14 Ts1"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_... |
AddAtomAction | aaa5c3b8-73fd-461b-a0ce-4a7f106f214b | mp-1193590 | Add one Ir atom at the Cartesian coordinate [-1.977 -2.665 3.7 ] to the cif file. | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... | data_image0
_chemical_formula_structural Gd2Co18Si8Ir
_chemical_formula_sum "Gd2 Co18 Si8 Ir1"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.212267... |
AddAtomAction | e2b20033-cbfa-4c2b-bbbd-f2e9936764e6 | mp-1202923 | Add one Cs atom at the Cartesian coordinate [ 2.485 2.462 10.164] to the cif file. | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... | data_image0
_chemical_formula_structural Ho4H32S6O40Cs
_chemical_formula_sum "Ho4 H32 S6 O40 Cs1"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_... |
AddAtomAction | c439f647-f150-48f1-b196-647c3d2af53c | mp-1193964 | Add one Nh atom at the Cartesian coordinate [-0.136 0.614 2.228] to the cif file. | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ca4Mg2C6O18Nh
_chemical_formula_sum "Ca4 Mg2 C6 O18 Nh1"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_... |
AddAtomAction | 3986daca-d841-4faa-b8b8-fec1033629f9 | mp-766479 | Add one Ar atom at the Cartesian coordinate [1.476 5.347 6.25 ] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24Ar
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24 Ar1"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
AddAtomAction | 35e77029-f210-4fcb-a4b3-a8bb1258dcf7 | mp-889216 | Add one F atom at the Cartesian coordinate [2.642 2.102 2.865] to the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... | data_image0
_chemical_formula_structural Mn6O10F3
_chemical_formula_sum "Mn6 O10 F3"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... |
AddAtomAction | 33efa07f-608e-44cf-8e0e-a3911d89bdbb | mp-1222724 | Add one Zn atom at the Cartesian coordinate [8.235 3.695 9.417] to the cif file. | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... | data_image0
_chemical_formula_structural Lu6Ga19Pd3Zn
_chemical_formula_sum "Lu6 Ga19 Pd3 Zn1"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_s... |
AddAtomAction | 802b64e3-7378-4b93-a6c3-9522c81b515b | mp-763224 | Add one Ca atom at the Cartesian coordinate [2.914 1.677 2.918] to the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... | data_image0
_chemical_formula_structural Mn8O13F3Ca
_chemical_formula_sum "Mn8 O13 F3 Ca1"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_... |
AddAtomAction | 037fa1c2-85bb-462b-a642-cd8f5d83b409 | mp-2230483 | Add one Am atom at the Cartesian coordinate [5.095 5.735 0.477] to the cif file. | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... | data_image0
_chemical_formula_structural MgV5CrO12Am
_chemical_formula_sum "Mg1 V5 Cr1 O12 Am1"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.715703139999... |
AddAtomAction | 91228b33-1757-4599-bb3a-c27ac7885e8b | mp-1195793 | Add one Bh atom at the Cartesian coordinate [4.728 2.006 7.797] to the cif file. | data_image0
_chemical_formula_structural Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_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 Ba4Fe4P4H4O20Bh
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20 Bh1"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | a484febf-e23c-4ec0-a61e-0c8bfee2f735 | mp-1233619 | Add one Os atom at the Cartesian coordinate [1.808 1.848 3.658] to the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16Os
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16 Os1"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma ... |
AddAtomAction | 8017b5ec-cde3-45fd-8346-bd81e5b32186 | mp-1234114 | Add one Ts atom at the Cartesian coordinate [3.755 2.654 3.792] to the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... | data_image0
_chemical_formula_structural MgFe8O8F8Ts
_chemical_formula_sum "Mg1 Fe8 O8 F8 Ts1"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298... |
AddAtomAction | b6ca800c-da3c-4490-9523-1dbc75bd6a30 | mp-753838 | Add one C atom at the Cartesian coordinate [ 1.264 0.196 10.068] to the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14C
_chemical_formula_sum "Li4 Si4 Ni4 O14 C1"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_gro... |
AddAtomAction | 1961f74a-6206-4bfc-b8a6-058c25f950f5 | mp-861612 | Add one F atom at the Cartesian coordinate [5.036 3.576 3.676] to the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16F
_chemical_formula_sum "Cr2 Fe2 P4 O16 F1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 1e8c91d0-be00-425e-8232-1e575c170af8 | mp-557634 | Add one Na atom at the Cartesian coordinate [ 4.623 -1.087 2.528] to the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24Na
_chemical_formula_sum "Na3 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_grou... |
AddAtomAction | 6aaa7ac4-7ee2-4e0b-a44f-57e5a9141cb8 | mp-568431 | Add one Fr atom at the Cartesian coordinate [ 1.953 -1.659 5.147] to the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... | data_image0
_chemical_formula_structural Nd12Fe26Sb2Fr
_chemical_formula_sum "Nd12 Fe26 Sb2 Fr1"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9... |
AddAtomAction | 7a6bc83f-186c-4d6d-8288-2958322d83ac | mp-1520816 | Add one Fm atom at the Cartesian coordinate [8.094 5.01 4.625] to the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_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 Ba4Eu4Zr8O24Fm
_chemical_formula_sum "Ba4 Eu4 Zr8 O24 Fm1"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 62dcf70c-d971-4a56-b262-ad412b008cdf | mp-557123 | Add one Xe atom at the Cartesian coordinate [7.464 5.927 1.893] to the cif file. | 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 Na8Cu4Si12O32Xe
_chemical_formula_sum "Na8 Cu4 Si12 O32 Xe1"
_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-... |
AddAtomAction | 647eb820-7a6a-485f-9448-c8829a3a4ef2 | mp-1178407 | Add one Cr atom at the Cartesian coordinate [1.981 0.704 4.175] to the cif file. | data_image0
_chemical_formula_structural Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_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 Cr8P4O20Cr
_chemical_formula_sum "Cr9 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 99c99d29-fbd1-4c79-8c35-bfc3414f383f | mp-614981 | Add one Ir atom at the Cartesian coordinate [2.694 0.96 6.276] to the cif file. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 Ba2NdCu3O6Ir
_chemical_formula_sum "Ba2 Nd1 Cu3 O6 Ir1"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
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