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 |
|---|---|---|---|---|---|
MoveTowardsAtomAction | 4b4f947c-ffa1-4dfb-aa82-a9a859b7eb88 | mp-1075015 | Move the atom at index 1 towards the atom at index 4 by 0.329 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Si8
_chemical_formula_sum "Mg6 Si8"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg6Si8
_chemical_formula_sum "Mg6 Si8"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-... |
MoveTowardsAtomAction | 20f96899-ba98-40e3-ab90-319e509b2151 | mp-17822 | Move the atom at index 22 towards the atom at index 1 by 1.153 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
MoveTowardsAtomAction | 661a6e94-94b1-4319-ae5c-a7ed360f8b7b | mp-1212718 | Move the atom at index 0 towards the atom at index 11 by 1.238 angstrom in the cif file. | data_image0
_chemical_formula_structural Ga12Te12Br4
_chemical_formula_sum "Ga12 Te12 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_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 Ga12Te12Br4
_chemical_formula_sum "Ga12 Te12 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | b8867072-70a8-4afc-a8c2-a1f2c1862f37 | mp-1200154 | Move the atom at index 29 towards the atom at index 8 by 0.95 angstrom in the cif file. | data_image0
_chemical_formula_structural P8Pb4O32
_chemical_formula_sum "P8 Pb4 O32"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural P8Pb4O32
_chemical_formula_sum "P8 Pb4 O32"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 4c4a0530-b30b-40cb-b645-5b3f540d1d74 | mp-1105573 | Move the atom at index 11 towards the atom at index 2 by 2.311 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_... | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_... |
MoveTowardsAtomAction | 738295d5-862d-4416-b296-6683edb43760 | mp-2219347 | Move the atom at index 1 towards the atom at index 11 by 0.527 angstrom in 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 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... |
MoveTowardsAtomAction | 674be777-e2be-4945-a16b-7ed41d5538ee | mp-1237261 | Move the atom at index 2 towards the atom at index 6 by 0.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... |
MoveTowardsAtomAction | 47c9236a-3ba5-454c-b248-b381e0a8b9b1 | mp-672679 | Move the atom at index 5 towards the atom at index 20 by 1.432 angstrom in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... |
MoveTowardsAtomAction | ff648fd7-6850-4416-b2a4-0b141e556f7d | mp-1228441 | Move the atom at index 23 towards the atom at index 33 by 2.207 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 02b41ed7-7824-46b9-8aec-4eeaa9f59ad3 | mp-1111648 | Move the atom at index 4 towards the atom at index 5 by 2.63 angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveTowardsAtomAction | 5c7e74a9-866e-46ec-a3cb-b143f43e2dad | mp-1201281 | Move the atom at index 9 towards the atom at index 8 by 2.898 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 5ac430ba-25cc-4f57-9853-1780a0ecf678 | mp-1208464 | Move the atom at index 4 towards the atom at index 1 by 1.651 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... |
MoveTowardsAtomAction | b56b8954-5f7b-4da8-bc91-62279ea1328e | mp-1222170 | Move the atom at index 10 towards the atom at index 6 by 1.09 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... |
MoveTowardsAtomAction | 119f62a9-267c-4fce-8a03-3b091a79e653 | mp-559052 | Move the atom at index 32 towards the atom at index 6 by 0.789 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... |
MoveTowardsAtomAction | 837b5955-fe7b-4e97-b3f3-0927ac293c9f | mp-2715422 | Move the atom at index 2 towards the atom at index 19 by 0.144 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
MoveTowardsAtomAction | 0b61a8b6-cf2d-4ba0-a8b2-9faf5b0242c8 | mp-1249486 | Move the atom at index 41 towards the atom at index 46 by 2.77 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
MoveTowardsAtomAction | 3a012f71-5f7e-4cc0-a36a-dcca838e3cf1 | mp-557006 | Move the atom at index 10 towards the atom at index 20 by 2.187 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... |
MoveTowardsAtomAction | e5e47e1c-2148-44b4-abb8-ac1fe80eeaaa | mp-1076741 | Move the atom at index 12 towards the atom at index 7 by 2.823 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... |
MoveTowardsAtomAction | b8508956-3dcb-48eb-9747-e8be3d0425af | mp-1246897 | Move the atom at index 4 towards the atom at index 2 by 2.949 angstrom in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... |
MoveTowardsAtomAction | 5232e184-6694-4b24-aa60-663ba3cb1343 | mp-768624 | Move the atom at index 9 towards the atom at index 32 by 1.176 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... |
MoveTowardsAtomAction | 47a77891-e88d-43c0-8900-e42e1032d554 | mp-2233834 | Move the atom at index 1 towards the atom at index 3 by 0.8 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... |
MoveTowardsAtomAction | 661ee4fb-34ae-45e6-88b8-ab08ad29db18 | mp-1218118 | Move the atom at index 3 towards the atom at index 12 by 2.245 angstrom in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 60fe9083-407c-44cf-b1eb-4d14d33edcbd | mp-1247633 | Move the atom at index 3 towards the atom at index 30 by 2.553 angstrom in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... |
MoveTowardsAtomAction | b74f15b2-8ba3-4dd1-ad2b-ac4b5137c776 | mp-1102559 | Move the atom at index 11 towards the atom at index 3 by 1.775 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | ca7dc5e6-3c18-49a5-8c5a-f02b79f883ac | mp-1305999 | Move the atom at index 3 towards the atom at index 2 by 1.213 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... |
MoveTowardsAtomAction | 5e13fbfe-b938-4a7e-a1b6-0dd974cca39a | mp-23477 | Move the atom at index 11 towards the atom at index 17 by 0.221 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... |
MoveTowardsAtomAction | c3b664bd-46da-4de2-973c-c414553893c2 | mp-1211547 | Move the atom at index 11 towards the atom at index 15 by 0.767 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... |
MoveTowardsAtomAction | d4a70ac6-c352-4524-ba62-3309e81e9b49 | mp-1196274 | Move the atom at index 24 towards the atom at index 25 by 0.646 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... |
MoveTowardsAtomAction | 86f97420-804f-45cf-9085-2887f447024d | mp-800838 | Move the atom at index 4 towards the atom at index 51 by 0.126 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... |
MoveTowardsAtomAction | f411f756-a994-4845-ba5e-adf3ad202afd | mp-1200810 | Move the atom at index 60 towards the atom at index 25 by 1.067 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | a13c6ad3-cd2c-45b4-8cfa-264753ce5a5d | mp-1210133 | Move the atom at index 30 towards the atom at index 33 by 0.786 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 31bdeee8-552a-4244-8a70-f1ee40d1237d | mp-1227615 | Move the atom at index 3 towards the atom at index 6 by 0.892 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... |
MoveTowardsAtomAction | d5d0eff6-b895-43ec-b486-f3fcda395eee | mp-2019122 | Move the atom at index 11 towards the atom at index 4 by 1.89 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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... |
MoveTowardsAtomAction | 539ebf05-01dc-4210-ad4e-2951b84b274c | mp-861565 | Move the atom at index 6 towards the atom at index 16 by 0.47 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... |
MoveTowardsAtomAction | 74718ba5-f5ca-4249-a75d-93b3f5e95bb0 | mp-995218 | Move the atom at index 17 towards the atom at index 4 by 0.303 angstrom in the cif file. | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... |
MoveTowardsAtomAction | e4cd6c00-71bf-4023-9226-acf54f34451a | mp-1192592 | Move the atom at index 24 towards the atom at index 3 by 2.548 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveTowardsAtomAction | e557c169-b65a-4733-963b-14acb36ca5d4 | mp-1217721 | Move the atom at index 3 towards the atom at index 6 by 1.297 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
MoveTowardsAtomAction | 2d468e8c-5352-4fb6-bb35-57db7c055de5 | mp-24508 | Move the atom at index 22 towards the atom at index 27 by 1.21 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... |
MoveTowardsAtomAction | 562aba3e-71d3-4a45-a309-48e5f3f4c151 | mp-769705 | Move the atom at index 6 towards the atom at index 3 by 1.546 angstrom in 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 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_... |
MoveTowardsAtomAction | fee4b3f6-c4c1-4166-b1c8-2ff5d3cb9bc0 | mp-775461 | Move the atom at index 13 towards the atom at index 48 by 0.55 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | e09658c7-29ba-4c3b-aaeb-0246d6f1b998 | mp-1246907 | Move the atom at index 12 towards the atom at index 16 by 2.188 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... |
MoveTowardsAtomAction | 4c2aca6c-1aaa-4f64-baee-d0f95ad04c13 | mp-28481 | Move the atom at index 4 towards the atom at index 21 by 2.939 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... |
MoveTowardsAtomAction | 0b18d377-9d82-46d7-9bdb-c4a8b996756e | mp-2240397 | Move the atom at index 8 towards the atom at index 3 by 0.132 angstrom in the cif file. | 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 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
... |
MoveTowardsAtomAction | 547577f4-be2e-49ac-a12d-7a1190d95f95 | mp-1031722 | Move the atom at index 14 towards the atom at index 4 by 0.897 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | de0cf585-0719-4783-b7fe-9d1e58254cd0 | mp-734012 | Move the atom at index 31 towards the atom at index 39 by 0.447 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | d422fb04-0f33-4b92-a7b5-d4ac4228803f | mp-1192907 | Move the atom at index 7 towards the atom at index 15 by 0.706 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... |
MoveTowardsAtomAction | 59bcd0bf-8ddd-4d0d-bf95-748c9e77d873 | mp-753597 | Move the atom at index 7 towards the atom at index 8 by 1.448 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | f8421bda-a6ad-4e81-9634-17dfa6b640fa | mp-1209813 | Move the atom at index 2 towards the atom at index 35 by 1.26 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... |
MoveTowardsAtomAction | b9eb4851-c57f-4cbd-a6e6-dba6b1e7fecd | mp-7152 | Move the atom at index 1 towards the atom at index 6 by 1.519 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 7be1650a-996c-4a17-acf7-eabd82472b28 | mp-559593 | Move the atom at index 7 towards the atom at index 17 by 0.687 angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveTowardsAtomAction | c8fa8369-54ec-4b59-9cfa-eb936e6b369c | mp-1245382 | Move the atom at index 38 towards the atom at index 6 by 0.641 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 95f99237-f0b0-4ec9-9902-1d1b46cecb7f | mp-1039781 | Move the atom at index 20 towards the atom at index 54 by 1.709 angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | f233e5ee-19c3-444e-8f96-5fb6c91ec283 | mp-1182886 | Move the atom at index 17 towards the atom at index 25 by 0.321 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 287b1694-8b85-44ce-a73a-2ecde42b7b71 | mp-1194089 | Move the atom at index 12 towards the atom at index 18 by 0.359 angstrom in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 0041f234-2487-436c-95fa-443c983ec4c1 | mp-774656 | Move the atom at index 6 towards the atom at index 20 by 2.018 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 75129ac2-9678-4b03-acab-3cdc884029d8 | mp-1204504 | Move the atom at index 21 towards the atom at index 25 by 1.507 angstrom in the cif file. | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... |
MoveTowardsAtomAction | d3982587-a845-4c32-aae5-3f4504d0a578 | mp-1204422 | Move the atom at index 13 towards the atom at index 10 by 1.398 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveTowardsAtomAction | 1438b031-2f2d-4b7a-8ed5-43cb305600cb | mp-1196023 | Move the atom at index 3 towards the atom at index 21 by 1.878 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | f8cbea09-1f6b-4b4c-b7a7-bbcfb02cab77 | mp-1022621 | Move the atom at index 6 towards the atom at index 11 by 1.807 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 23af5837-6608-4392-aa16-3f0b5519daf5 | mp-1188333 | Move the atom at index 0 towards the atom at index 6 by 2.324 angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... |
MoveTowardsAtomAction | bcf6154b-49c8-47b1-9e65-96e8b830d056 | mp-567194 | Move the atom at index 24 towards the atom at index 55 by 0.966 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | c1202fd0-795b-4298-ae70-a1d05b66dbb1 | mp-1073481 | Move the atom at index 1 towards the atom at index 7 by 2.116 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... |
MoveTowardsAtomAction | 003cfb2c-79b3-49e6-949f-d1ac544f1d83 | mp-10299 | Move the atom at index 3 towards the atom at index 15 by 2.885 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... |
MoveTowardsAtomAction | 64013edb-cc01-48b9-a51f-ff661a75cf48 | mp-30447 | Move the atom at index 1 towards the atom at index 32 by 0.313 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveTowardsAtomAction | 7391d152-f780-4fc8-acb6-28dec2e86c37 | mp-978968 | Move the atom at index 7 towards the atom at index 3 by 0.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... |
MoveTowardsAtomAction | c672d3c5-7884-41f4-8c90-0eb6cebebf2f | mp-627591 | Move the atom at index 18 towards the atom at index 22 by 0.493 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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... |
MoveTowardsAtomAction | ca8dc2b7-bbbc-4680-8776-73092fd985ac | mp-731799 | Move the atom at index 51 towards the atom at index 54 by 1.473 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 133e83f7-5984-413b-a063-23ccc34633e9 | mp-849991 | Move the atom at index 66 towards the atom at index 24 by 1.723 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | af8172ca-b463-4c69-a521-6917d373d2cf | mp-551407 | Move the atom at index 0 towards the atom at index 10 by 0.957 angstrom in the cif file. | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... |
MoveTowardsAtomAction | 3876f216-98ad-4012-864d-13bfc6943094 | mp-2526683 | Move the atom at index 14 towards the atom at index 7 by 0.426 angstrom in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
MoveTowardsAtomAction | bda77a7b-f06e-4f19-bb2b-6f8d9be7bd38 | mp-757606 | Move the atom at index 21 towards the atom at index 25 by 0.902 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveTowardsAtomAction | 7f1bf7f2-1f93-4ec6-bf94-a2f77d3eaac0 | mp-1229206 | Move the atom at index 45 towards the atom at index 40 by 2.442 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 6e08d74e-d371-4657-a72e-9dfbe8c6d0f9 | mp-568693 | Move the atom at index 3 towards the atom at index 11 by 1.292 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... |
MoveTowardsAtomAction | 8a989419-ead6-4069-9055-06ea02002ef2 | mp-1516887 | Move the atom at index 2 towards the atom at index 6 by 2.611 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | e92f826e-195b-42b3-9c1b-31f9d038c388 | mp-24473 | Move the atom at index 35 towards the atom at index 22 by 2.73 angstrom in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 971832ae-1f88-4cd5-8e64-12d4f2afcb6f | mp-1040902 | Move the atom at index 27 towards the atom at index 37 by 1.223 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... |
MoveTowardsAtomAction | f5a6a9bc-f01c-44ba-b861-6d6e0e8e4f76 | mp-1028063 | Move the atom at index 10 towards the atom at index 3 by 1.851 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 4de52395-0e4c-44dc-87f0-f6b6b76cabfe | mp-1040902 | Move the atom at index 39 towards the atom at index 22 by 1.864 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... |
MoveTowardsAtomAction | b4cb8dd2-66d3-4a7c-855e-e786e44d745d | mp-1194492 | Move the atom at index 16 towards the atom at index 18 by 2.916 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 0214b091-79a0-4f1e-a518-6077eb372448 | mp-2228468 | Move the atom at index 6 towards the atom at index 0 by 2.859 angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... |
MoveTowardsAtomAction | 8de1e5f4-5707-49e1-8926-6786ae7093cb | mp-28131 | Move the atom at index 16 towards the atom at index 6 by 2.562 angstrom in the cif file. | data_image0
_chemical_formula_structural C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | bcb12318-fedf-4f24-959d-0a88ddf3bd9e | mp-674849 | Move the atom at index 1 towards the atom at index 8 by 1.37 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 50965e10-8ef0-42fa-9c8d-5e3267552440 | mp-1225526 | Move the atom at index 1 towards the atom at index 0 by 2.083 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 304db649-fdd4-4743-9732-dba7cd7755fb | mp-1228691 | Move the atom at index 0 towards the atom at index 3 by 0.871 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... |
MoveTowardsAtomAction | 34c0915b-821b-446a-943b-6eee973235b3 | mp-1030107 | Move the atom at index 1 towards the atom at index 7 by 2.379 angstrom in the cif file. | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 21df8f56-0a6a-414c-a42d-bb2f7c9098c0 | mp-1193261 | Move the atom at index 0 towards the atom at index 5 by 1.875 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 71a795c9-4ef2-4cc3-8bed-f8e0a313e7a7 | mp-1195825 | Move the atom at index 18 towards the atom at index 17 by 2.344 angstrom in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... |
MoveTowardsAtomAction | b3e36ce9-2321-4cc7-9139-9b9acd71d765 | mp-14485 | Move the atom at index 23 towards the atom at index 19 by 2.003 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... |
MoveTowardsAtomAction | 7cbb52de-ce04-4f5a-aeef-c884217bd639 | mp-771907 | Move the atom at index 23 towards the atom at index 0 by 2.641 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... |
MoveTowardsAtomAction | 2457e29b-8f08-44e5-af8a-dfad7baf802a | mp-768066 | Move the atom at index 57 towards the atom at index 25 by 1.391 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 55449af8-bc60-4e2e-bf8a-36b60a123969 | mp-1227514 | Move the atom at index 3 towards the atom at index 14 by 1.649 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 4ebb443c-bbc6-49d1-9f28-8776be14d9da | mp-1195695 | Move the atom at index 29 towards the atom at index 22 by 0.155 angstrom in the cif file. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... |
MoveTowardsAtomAction | ce83c2e4-c154-42fd-b8c9-ff710745f034 | mp-1217523 | Move the atom at index 0 towards the atom at index 4 by 0.65 angstrom in the cif file. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... |
MoveTowardsAtomAction | 697a997d-19d5-44cd-ad03-351b645b7505 | mp-22106 | Move the atom at index 12 towards the atom at index 17 by 0.749 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 154957a1-76b6-4d31-88fa-b70fb6347b2f | mp-755550 | Move the atom at index 15 towards the atom at index 1 by 2.844 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... |
MoveTowardsAtomAction | 3d595417-3414-4add-a1ab-83ff555bfe0c | mp-1198511 | Move the atom at index 12 towards the atom at index 28 by 2.89 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveTowardsAtomAction | 02e3e84e-e2c8-4528-ade2-7653fa8a9820 | mp-721707 | Move the atom at index 13 towards the atom at index 15 by 0.933 angstrom in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... |
MoveTowardsAtomAction | 52d3c7d2-cb74-4a0e-9673-44b941443b59 | mp-690490 | Move the atom at index 22 towards the atom at index 6 by 2.904 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveTowardsAtomAction | 65795c7e-f59c-4602-a5e5-1ae6a1403148 | mp-753615 | Move the atom at index 7 towards the atom at index 0 by 0.508 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... |
MoveTowardsAtomAction | ea0aff4a-38f7-4ae6-ace0-5c50af117926 | mp-759690 | Move the atom at index 26 towards the atom at index 25 by 2.254 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... |
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