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 | 72cda261-c877-41e6-8b1d-933339bbfca7 | mp-771389 | Move the atom at index 34 towards the atom at index 35 by 1.737 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... |
MoveTowardsAtomAction | 6cdca71b-569d-4e26-b601-e7cc2b09d3f4 | mp-6606 | Move the atom at index 12 towards the atom at index 1 by 1.304 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... |
MoveTowardsAtomAction | c0057294-d098-455b-a150-d68cd560cb44 | mp-777562 | Move the atom at index 28 towards the atom at index 14 by 0.936 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... |
MoveTowardsAtomAction | 6ae040a5-0db5-4d03-9402-737878cf43e8 | mp-554409 | Move the atom at index 3 towards the atom at index 29 by 0.662 angstrom in the cif file. | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... |
MoveTowardsAtomAction | bda0359d-7858-4d83-a568-2b79cfdf8cfe | mp-756993 | Move the atom at index 9 towards the atom at index 3 by 1.479 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
MoveTowardsAtomAction | 161f30fe-3a8b-45fe-a126-c60f02439a35 | mp-1019520 | Move the atom at index 2 towards the atom at index 14 by 1.016 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... | data_image0
_chemical_formula_structural Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... |
MoveTowardsAtomAction | 2c34b6bd-afa7-41b2-8342-c27b919414a2 | mp-1023076 | Move the atom at index 8 towards the atom at index 6 by 1.38 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 | 56df1d35-3029-46d1-8f8e-fb381569e84b | mp-35143 | Move the atom at index 7 towards the atom at index 1 by 0.184 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 7fadad4e-d519-4426-8a2e-518d28145169 | mp-1226671 | Move the atom at index 21 towards the atom at index 42 by 0.597 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... |
MoveTowardsAtomAction | feec83b2-2d9c-4fb6-b280-0770a8394a41 | mp-1188153 | Move the atom at index 3 towards the atom at index 4 by 1.837 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... |
MoveTowardsAtomAction | 1354e0fd-7856-4d0b-be31-4e77605bff61 | mp-736701 | Move the atom at index 14 towards the atom at index 32 by 0.289 angstrom in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 16c1c8c5-fb5e-40d2-bd6e-0391c7ed16be | mp-1569720 | Move the atom at index 21 towards the atom at index 5 by 2.662 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... |
MoveTowardsAtomAction | 28a357ec-4311-4451-881e-242cf8371f83 | mp-1028023 | Move the atom at index 0 towards the atom at index 1 by 2.257 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | ef96c834-a5bb-48f0-806b-0e8394f06776 | mp-1520242 | Move the atom at index 9 towards the atom at index 5 by 1.006 angstrom in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveTowardsAtomAction | 7946e538-c4c0-46a6-8a49-72d98daadcfb | mp-1113343 | Move the atom at index 4 towards the atom at index 2 by 0.797 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveTowardsAtomAction | f23c7845-2ed4-4bfd-9ba7-a78b579502b2 | mp-554183 | Move the atom at index 23 towards the atom at index 22 by 1.407 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 7bff5b90-5448-4878-8097-7bc73890a5bb | mp-8762 | Move the atom at index 1 towards the atom at index 5 by 1.318 angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 66f8c03e-2449-4989-a71f-aebc93597c0e | mp-28507 | Move the atom at index 45 towards the atom at index 30 by 0.161 angstrom in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 893a2550-ced3-42a3-9753-0b3d1e7428f1 | mp-975336 | Move the atom at index 7 towards the atom at index 11 by 1.521 angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveTowardsAtomAction | 6a8d0cb3-09ba-4726-9a9d-be74e6d6af13 | mp-1073136 | Move the atom at index 9 towards the atom at index 6 by 1.473 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 708e5f57-fb4a-4b32-a6de-bdc31a544619 | mp-734797 | Move the atom at index 69 towards the atom at index 73 by 1.009 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 98a842e8-0818-45d4-90f7-ca2f9ebeada8 | mp-1020592 | Move the atom at index 12 towards the atom at index 10 by 1.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | e8928b31-3ab9-4d9b-b39a-c7fcb8859bda | mp-754319 | Move the atom at index 5 towards the atom at index 14 by 0.548 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
MoveTowardsAtomAction | 8b279144-9aa9-4e37-a3d7-051da2508889 | mp-1226356 | Move the atom at index 33 towards the atom at index 57 by 2.192 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 | 4845d9b3-abb0-4974-b4dd-509d2d52e30a | mp-1224332 | Move the atom at index 16 towards the atom at index 17 by 1.408 angstrom in the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... |
MoveTowardsAtomAction | f4480b1c-982a-48ba-8a0d-3d035a2959a4 | mp-772223 | Move the atom at index 35 towards the atom at index 2 by 0.278 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 5731fe01-c704-4f21-8c41-4d809e48baaf | mp-3887 | Move the atom at index 46 towards the atom at index 21 by 1.614 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveTowardsAtomAction | 108859bb-07d4-4558-81ce-0d571a4ffc77 | mp-1221055 | Move the atom at index 37 towards the atom at index 51 by 2.946 angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... |
MoveTowardsAtomAction | b6fe5d52-20d3-4b84-b2e1-1cf8e8aed9fe | mp-753686 | Move the atom at index 8 towards the atom at index 19 by 1.03 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... |
MoveTowardsAtomAction | e9f037ad-86a3-425f-8156-a8b85babf610 | mp-1516711 | Move the atom at index 33 towards the atom at index 15 by 2.378 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 3252052c-4407-40c3-a58f-689a3140e1c9 | mp-866741 | Move the atom at index 43 towards the atom at index 58 by 1.859 angstrom in the cif file. | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... |
MoveTowardsAtomAction | b6c53552-ebd1-4270-8eab-848e62ce7be9 | mp-757167 | Move the atom at index 29 towards the atom at index 41 by 2.359 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... |
MoveTowardsAtomAction | f8bba772-1f41-4afe-8f72-bcf53324ce68 | mp-1190262 | Move the atom at index 14 towards the atom at index 9 by 1.59 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 21fc032a-dc9d-47c0-825f-808248664eb6 | mp-1110620 | Move the atom at index 7 towards the atom at index 6 by 2.271 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveTowardsAtomAction | e8819cbf-38e5-4d28-a697-d2d565573839 | mp-1214585 | Move the atom at index 7 towards the atom at index 5 by 0.145 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 | ce7a08ef-9fe6-4961-b30c-b6c046ee493d | mp-555776 | Move the atom at index 22 towards the atom at index 66 by 0.488 angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_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 K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 92ffea56-dbee-464a-aab0-2e8000c3a677 | mp-1229067 | Move the atom at index 50 towards the atom at index 36 by 0.538 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... |
MoveTowardsAtomAction | 9ee60e6f-9e3a-43e4-b05c-28b30f696fb0 | mp-1020027 | Move the atom at index 27 towards the atom at index 20 by 1.964 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 2eb0651e-b1e5-4b93-8435-9a7279b7e1c6 | mp-1179899 | Move the atom at index 15 towards the atom at index 13 by 1.154 angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 | 0b0a17b2-62d4-4d7b-8c6f-d218053588db | mp-630927 | Move the atom at index 6 towards the atom at index 3 by 0.164 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveTowardsAtomAction | dec9deba-cbd8-4f69-aaf8-d69bcb265bcb | mp-984755 | Move the atom at index 28 towards the atom at index 8 by 2.753 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... |
MoveTowardsAtomAction | 0f4c0f9a-992d-4fe8-bbaf-72761509ee00 | mp-560404 | Move the atom at index 27 towards the atom at index 20 by 1.194 angstrom in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... |
MoveTowardsAtomAction | d26d5631-f51e-487c-ade3-86bab3d4572c | mp-766179 | Move the atom at index 7 towards the atom at index 48 by 2.018 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... |
MoveTowardsAtomAction | 471b3829-3005-4c52-84ac-311adfe42424 | mp-676665 | Move the atom at index 0 towards the atom at index 25 by 2.877 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveTowardsAtomAction | 9d0e8e5c-8375-4943-ba8d-67e4c22a98ec | mp-1197785 | Move the atom at index 17 towards the atom at index 43 by 0.198 angstrom in the cif file. | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... |
MoveTowardsAtomAction | ee33465b-c397-4fbb-88d9-d5a8192d7c4a | mp-558208 | Move the atom at index 2 towards the atom at index 37 by 2.639 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... |
MoveTowardsAtomAction | 2b864048-af8a-45bb-99fe-fcfd2fdcc5bf | mp-1095479 | Move the atom at index 2 towards the atom at index 3 by 0.802 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 342d470a-c5fd-45ec-834d-462ed15a57d9 | mp-1048547 | Move the atom at index 1 towards the atom at index 7 by 2.932 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... | data_image0
_chemical_formula_structural Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... |
MoveTowardsAtomAction | ab2199ed-0c1c-4a47-97b9-d3de528fd804 | mp-753610 | Move the atom at index 11 towards the atom at index 1 by 1.037 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 37c26681-472f-4ba1-80a4-8b9cc02dc7bb | mp-570363 | Move the atom at index 8 towards the atom at index 11 by 0.204 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... |
MoveTowardsAtomAction | ac602ada-773e-4352-b69a-0dd6a565bffd | mp-1179444 | Move the atom at index 9 towards the atom at index 4 by 1.095 angstrom in the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8ac78115-c260-430e-9812-6597c6ddb166 | mp-757139 | Move the atom at index 35 towards the atom at index 19 by 1.857 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... |
MoveTowardsAtomAction | 76f2de0a-d22e-4f1d-a42f-c89a3dd0a9fa | mp-1176707 | Move the atom at index 17 towards the atom at index 4 by 1.799 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... |
MoveTowardsAtomAction | f674ca22-e309-4f54-93ee-8df5222ed031 | mp-1209411 | Move the atom at index 15 towards the atom at index 9 by 0.548 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | efb7f0f0-56e6-4af4-8062-cb1829fce7b2 | mp-680506 | Move the atom at index 2 towards the atom at index 16 by 2.236 angstrom in the cif file. | data_image0
_chemical_formula_structural Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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... |
MoveTowardsAtomAction | c3f888db-a9b7-4659-9c54-d319ddb72dd9 | mp-5169 | Move the atom at index 4 towards the atom at index 11 by 1.087 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... |
MoveTowardsAtomAction | 9c142c36-4e5c-4711-bd3a-e9a3f26e4e03 | mp-6632 | Move the atom at index 9 towards the atom at index 7 by 0.759 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... |
MoveTowardsAtomAction | 31eb2b1e-7534-493f-ade5-0644c869ae3a | mp-1356129 | Move the atom at index 36 towards the atom at index 7 by 0.123 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... |
MoveTowardsAtomAction | 4bb0b001-a8a5-4996-9c36-587d05709df3 | mp-1234180 | Move the atom at index 10 towards the atom at index 22 by 0.405 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... |
MoveTowardsAtomAction | cdd101a7-fefd-4c92-9400-52d061fbd558 | mp-2219373 | Move the atom at index 10 towards the atom at index 1 by 0.586 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... |
MoveTowardsAtomAction | 478cdf51-bafa-4e8a-b7c6-d09c020a0c7c | mp-849387 | Move the atom at index 0 towards the atom at index 3 by 2.912 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... |
MoveTowardsAtomAction | e5025a90-d1c9-440d-b703-4304f0a1c31a | mp-773514 | Move the atom at index 0 towards the atom at index 21 by 1.937 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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 Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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 | f11f86de-33d2-41c5-9323-dff4d4ee7fca | mp-735027 | Move the atom at index 38 towards the atom at index 31 by 2.867 angstrom in the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | c81f3568-4dbb-491e-b535-51052cddd133 | mp-18753 | Move the atom at index 7 towards the atom at index 6 by 1.69 angstrom in the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... |
MoveTowardsAtomAction | 07bf276f-4509-4fe5-8c3c-a6a5c841ae11 | mp-2231666 | Move the atom at index 11 towards the atom at index 10 by 1.971 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
MoveTowardsAtomAction | 4fd0b0b0-3cd0-40de-9404-cc948e9cc020 | mp-1191291 | Move the atom at index 22 towards the atom at index 6 by 0.514 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | de3cba5f-4701-4cc2-bca7-b44a908f272f | mp-1022967 | Move the atom at index 6 towards the atom at index 13 by 0.87 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 | 9a3e38e1-a054-47b3-b1b5-a482c432ed59 | mp-758700 | Move the atom at index 18 towards the atom at index 11 by 1.478 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... |
MoveTowardsAtomAction | 7b1daf63-1710-4a40-a0af-b43f08c9b052 | mp-1573889 | Move the atom at index 17 towards the atom at index 0 by 0.995 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... |
MoveTowardsAtomAction | 905272b7-aa4f-4e24-b9aa-041f9ba789ca | mp-540538 | Move the atom at index 13 towards the atom at index 12 by 0.557 angstrom in the cif file. | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 8ad6baca-9041-449d-83b2-0d57d5340fe4 | mp-1228452 | Move the atom at index 19 towards the atom at index 10 by 2.387 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... |
MoveTowardsAtomAction | 39de7338-2777-428d-8d69-5cbd8a63225e | mp-1199527 | Move the atom at index 30 towards the atom at index 18 by 2.314 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 0b2bbc2e-752f-4473-bdf4-bec6ff279a5a | mp-1245440 | Move the atom at index 22 towards the atom at index 10 by 2.955 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... | data_image0
_chemical_formula_structural Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... |
MoveTowardsAtomAction | 88dd668c-d478-41f5-8229-e8b5ef3be52d | mp-30366 | Move the atom at index 11 towards the atom at index 8 by 0.126 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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 Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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 | 6f3aa2d4-f63f-4652-b2b2-c41d0ddcebc7 | mp-1246526 | Move the atom at index 7 towards the atom at index 9 by 1.275 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... |
MoveTowardsAtomAction | ca208686-af89-4c83-9067-7112af8dc989 | mp-740718 | Move the atom at index 48 towards the atom at index 89 by 2.991 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | f7da0dcb-369e-49e1-9c2a-f1533d92e72f | mp-1198663 | Move the atom at index 6 towards the atom at index 19 by 0.839 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 | e77875f5-67d6-41fb-a3a6-875cbe4f60da | mp-554739 | Move the atom at index 20 towards the atom at index 8 by 0.738 angstrom in the cif file. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 3f9eddfa-0b44-4606-9b2a-ee3bd4d4f333 | mp-1112428 | Move the atom at index 3 towards the atom at index 7 by 2.934 angstrom in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
MoveTowardsAtomAction | 7394903a-f4ad-43ae-9927-1e4575a7badb | mp-571242 | Move the atom at index 25 towards the atom at index 9 by 0.509 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 | af11c8b1-0e9b-4594-a3e1-d9070b40fe02 | mp-1245133 | Move the atom at index 13 towards the atom at index 2 by 1.111 angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
MoveTowardsAtomAction | dab1640e-7001-4705-8adc-8f04a1b09c0a | mp-627575 | Move the atom at index 11 towards the atom at index 26 by 2.809 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... |
MoveTowardsAtomAction | 1564e757-1f28-49fb-bc0d-1029751d9208 | mp-695373 | Move the atom at index 12 towards the atom at index 44 by 2.651 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... |
MoveTowardsAtomAction | 448fafea-23d2-412f-b7f6-89ec056403fb | mp-1210947 | Move the atom at index 20 towards the atom at index 9 by 2.907 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
MoveTowardsAtomAction | b10ec381-32c3-4593-a451-c402da1b65c2 | mp-613620 | Move the atom at index 18 towards the atom at index 15 by 1.563 angstrom in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 666dd4cd-e3ea-48a8-94d3-19093c4732e0 | mp-22575 | Move the atom at index 11 towards the atom at index 15 by 0.937 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 485ba04f-1de0-43e0-86b5-857e0c906db0 | mp-1216434 | Move the atom at index 17 towards the atom at index 20 by 2.069 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... |
MoveTowardsAtomAction | 2a1b67db-66ed-432b-9230-6565e23e8f23 | mp-554749 | Move the atom at index 70 towards the atom at index 26 by 2.045 angstrom in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveTowardsAtomAction | 6183a6c7-9359-4732-9848-e99d3f4448ec | mp-542019 | Move the atom at index 3 towards the atom at index 4 by 2.497 angstrom in the cif file. | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... |
MoveTowardsAtomAction | 8c9cb217-5b20-4f25-9701-cd06b851419d | mp-1209789 | Move the atom at index 20 towards the atom at index 18 by 1.4 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveTowardsAtomAction | efb3e53c-57c3-43c1-81ea-c1c232083072 | mp-625159 | Move the atom at index 23 towards the atom at index 8 by 0.209 angstrom in the cif file. | data_image0
_chemical_formula_structural H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 | a9b4765a-5190-4697-841c-6e895357456f | mp-1523324 | Move the atom at index 7 towards the atom at index 8 by 0.114 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveTowardsAtomAction | 3f5e237f-adba-4ef5-ae78-d763722c8a65 | mp-560156 | Move the atom at index 25 towards the atom at index 13 by 2.39 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | d3cd35d3-06dd-4eb8-b910-41dd8d38d688 | mp-33255 | Move the atom at index 24 towards the atom at index 23 by 0.927 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... |
MoveTowardsAtomAction | 1d895dfe-c7a6-4a73-ac8c-a7b2be7e4724 | mp-752419 | Move the atom at index 3 towards the atom at index 13 by 2.49 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 5d78e07c-2f7b-405c-8b43-3c129cedd524 | mp-570506 | Move the atom at index 6 towards the atom at index 5 by 1.937 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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... |
MoveTowardsAtomAction | fab23e70-b624-44d1-8443-7f2db89bfdbe | mp-780431 | Move the atom at index 4 towards the atom at index 69 by 2.651 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | afe484d7-5517-4ee5-b78d-bb02bfa7f80b | mp-1225649 | Move the atom at index 11 towards the atom at index 7 by 2.401 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 9e71b3a8-aa9b-4b16-93bb-2accd2a03d11 | mp-1306670 | Move the atom at index 13 towards the atom at index 6 by 1.715 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... |
MoveTowardsAtomAction | 5aab5e38-b43e-4473-b63a-57392ca1fa9a | mp-1027965 | Move the atom at index 9 towards the atom at index 0 by 2.572 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
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