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 | ff8f8c21-c68e-4e4c-9740-2ba10a938de8 | mp-28408 | Move the atom at index 0 towards the atom at index 10 by 1.886 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... |
MoveTowardsAtomAction | f0745c37-8783-41e9-a8f1-7a495134be79 | mp-1021403 | Move the atom at index 4 towards the atom at index 12 by 1.05 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Li2Mg12Sn2
_chemical_formula_sum "Li2 Mg12 Sn2"
_cell_length_a 5.113851
_cell_length_b 6.377667
_cell_length_c 11.010383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 8008df2a-4187-4bf9-8a84-74666378bb82 | mp-20250 | Move the atom at index 14 towards the atom at index 12 by 0.914 angstrom in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveTowardsAtomAction | a87e482c-679d-4a6b-98c5-bcc744387fd8 | mp-1352636 | Move the atom at index 11 towards the atom at index 40 by 1.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... |
MoveTowardsAtomAction | cee506e9-7d01-4ed3-8ac4-642352c4c662 | mp-1112917 | Move the atom at index 5 towards the atom at index 3 by 1.778 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveTowardsAtomAction | 3793940a-4de5-497f-b9eb-b629aa4f2f5f | mp-1247259 | Move the atom at index 8 towards the atom at index 2 by 0.807 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 7a9e75a0-7a26-447c-ba05-69f15a4cde46 | mp-1173764 | Move the atom at index 20 towards the atom at index 39 by 1.865 angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... |
MoveTowardsAtomAction | c598ae00-e316-43e8-b40a-148093a84c8d | mp-1196133 | Move the atom at index 27 towards the atom at index 54 by 1.932 angstrom in the cif file. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | b865dcc9-7af1-49bf-b9c9-a560da5cf964 | mp-1192809 | Move the atom at index 25 towards the atom at index 3 by 2.241 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | 799be805-a62b-4c81-8732-f325321cadee | mp-989637 | Move the atom at index 2 towards the atom at index 9 by 2.454 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... | data_image0
_chemical_formula_structural Ba4Re4N12
_chemical_formula_sum "Ba4 Re4 N12"
_cell_length_a 7.98970704
_cell_length_b 7.98970704
_cell_length_c 6.14392328
_cell_angle_alpha 81.54328597999998
_cell_angle_beta 81.54328597999998
_cell_angle_gamma 91.19638265
_space... |
MoveTowardsAtomAction | 5801e41e-a3ae-4e8c-9ecb-edd5d4c39d06 | mp-1411320 | Move the atom at index 8 towards the atom at index 0 by 0.174 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... | data_image0
_chemical_formula_structural Y2V4O8
_chemical_formula_sum "Y2 V4 O8"
_cell_length_a 6.41888559
_cell_length_b 6.41888559
_cell_length_c 6.418884680000001
_cell_angle_alpha 58.70190772000001
_cell_angle_beta 58.70190772000001
_cell_angle_gamma 58.70191093
_spac... |
MoveTowardsAtomAction | 6f1e55b4-1b6e-4575-a49a-bf05eb80eed3 | mp-1246013 | Move the atom at index 5 towards the atom at index 2 by 1.147 angstrom in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 1e0138e9-37eb-4746-8767-d5b46ba19232 | mp-613 | Move the atom at index 3 towards the atom at index 8 by 2.931 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 7acaab8b-7107-40aa-87ba-44e207032556 | mp-1357031 | Move the atom at index 13 towards the atom at index 0 by 0.666 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... | data_image0
_chemical_formula_structural Nb6Tl2Cu2Cl18
_chemical_formula_sum "Nb6 Tl2 Cu2 Cl18"
_cell_length_a 9.378582
_cell_length_b 9.38646857
_cell_length_c 9.40366541
_cell_angle_alpha 119.46482336999999
_cell_angle_beta 105.21942018000001
_cell_angle_gamma 96.1155967... |
MoveTowardsAtomAction | e01a07dc-93ae-4b5a-8d86-82b7b08189b0 | mp-2230736 | Move the atom at index 13 towards the atom at index 4 by 0.638 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... |
MoveTowardsAtomAction | 268590f5-104a-471e-a0b6-9827822a1dfd | mp-752888 | Move the atom at index 5 towards the atom at index 4 by 1.528 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 77af53d7-07a7-4315-9503-c621c3fcc2ec | mp-1103256 | Move the atom at index 10 towards the atom at index 6 by 0.997 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | c1c79d65-67f9-4bfe-8075-209b69873e82 | mp-1233440 | Move the atom at index 13 towards the atom at index 0 by 2.336 angstrom in the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... |
MoveTowardsAtomAction | 91cf260f-32e3-4e66-8df7-bbfb60ef321a | mp-775903 | Move the atom at index 43 towards the atom at index 47 by 0.218 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... |
MoveTowardsAtomAction | c9492822-a6b2-46b8-958d-8f15a2c0c157 | mp-1233765 | Move the atom at index 16 towards the atom at index 10 by 1.52 angstrom in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... |
MoveTowardsAtomAction | a0e14b60-a22b-4904-94b1-77912c0c1080 | mp-530953 | Move the atom at index 59 towards the atom at index 23 by 1.154 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... | data_image0
_chemical_formula_structural Ho16Ti8O40
_chemical_formula_sum "Ho16 Ti8 O40"
_cell_length_a 7.41089067
_cell_length_b 7.410890670000001
_cell_length_c 17.77621955
_cell_angle_alpha 89.47158481
_cell_angle_beta 89.47158481
_cell_angle_gamma 58.75277637
_space_g... |
MoveTowardsAtomAction | aa8d15ad-d242-459f-b439-0e8a46e01c65 | mp-1233593 | Move the atom at index 7 towards the atom at index 3 by 0.871 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
MoveTowardsAtomAction | df8bbe57-c69b-44c1-8259-92c550260f26 | mp-1209821 | Move the atom at index 1 towards the atom at index 9 by 1.385 angstrom in the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... |
MoveTowardsAtomAction | 8fe370a8-ded6-48d9-9d0a-61fc816cdffc | mp-1200885 | Move the atom at index 4 towards the atom at index 19 by 0.916 angstrom in the cif file. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | ede9fb46-2d99-47dd-9911-f2040a80c66a | mp-1213955 | Move the atom at index 7 towards the atom at index 19 by 2.94 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveTowardsAtomAction | 20d9d1fd-1536-4a62-a241-502c52e85146 | mp-43188 | Move the atom at index 4 towards the atom at index 17 by 2.805 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8BeAl4Si7Br2O24
_chemical_formula_sum "Na8 Be1 Al4 Si7 Br2 O24"
_cell_length_a 9.043344
_cell_length_b 9.043344
_cell_length_c 9.093718
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 319518b1-0232-4f8f-9497-f6bea490083f | mp-27911 | Move the atom at index 1 towards the atom at index 2 by 1.764 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4As4O16
_chemical_formula_sum "Bi4 As4 O16"
_cell_length_a 7.17354141
_cell_length_b 6.74462747
_cell_length_c 8.29296855
_cell_angle_alpha 53.29390939999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8594126c-4b4f-4178-a081-600105618add | mp-1217365 | Move the atom at index 7 towards the atom at index 4 by 1.002 angstrom in the cif file. | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... | data_image0
_chemical_formula_structural ThZr2U2O10
_chemical_formula_sum "Th1 Zr2 U2 O10"
_cell_length_a 15.50643753
_cell_length_b 15.50643753
_cell_length_c 15.5064372
_cell_angle_alpha 14.078482140000034
_cell_angle_beta 14.078482140000034
_cell_angle_gamma 14.07848291... |
MoveTowardsAtomAction | 4660c531-ec2b-4328-8a92-0bfd833f235e | mp-1228099 | Move the atom at index 30 towards the atom at index 16 by 1.184 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... | data_image0
_chemical_formula_structural Ba6Al6F30
_chemical_formula_sum "Ba6 Al6 F30"
_cell_length_a 5.294875
_cell_length_b 7.50576356
_cell_length_c 15.15086871
_cell_angle_alpha 79.41647962999998
_cell_angle_beta 88.48177167000001
_cell_angle_gamma 88.12946573
_space_... |
MoveTowardsAtomAction | 6e2d2689-7260-4160-9e34-c0da75b43e97 | mp-1195795 | Move the atom at index 27 towards the atom at index 14 by 0.615 angstrom in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
MoveTowardsAtomAction | 4a9ce0f1-2c71-4cc8-9590-a5a311de3043 | mp-849617 | Move the atom at index 38 towards the atom at index 1 by 0.373 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24859
_cell_length_b 9.14136416
_cell_length_c 11.30782167
_cell_angle_alpha 112.71046395999998
_cell_angle_beta 103.3578393
_cell_angle_gamma 90.05467985
_space_g... |
MoveTowardsAtomAction | 54d00d7e-15db-42de-bef9-a6960f565a9b | mp-1100579 | Move the atom at index 7 towards the atom at index 1 by 1.012 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.901586
_cell_length_b 5.200861
_cell_length_c 19.42563306
_cell_angle_alpha 84.16596321
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 3e82f0b4-cbf7-4759-b178-d195d617e53d | mp-1173638 | Move the atom at index 28 towards the atom at index 15 by 0.107 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... |
MoveTowardsAtomAction | 63ee9ed5-b6b8-46f4-9f9c-c56c9c88a13b | mp-1211409 | Move the atom at index 33 towards the atom at index 44 by 2.8 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural K4Tb4Mo8O32
_chemical_formula_sum "K4 Tb4 Mo8 O32"
_cell_length_a 5.158313
_cell_length_b 8.16187
_cell_length_c 18.467511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | f1788e28-2770-4b95-a5e6-e631edad3bcc | mp-1026412 | Move the atom at index 5 towards the atom at index 7 by 2.425 angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 54d96e57-c0db-40bd-b8ae-8b3eb901bde4 | mp-776026 | Move the atom at index 9 towards the atom at index 30 by 1.621 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveTowardsAtomAction | d23d2eab-00e1-4123-a432-daf5e2abf4f2 | mp-1519680 | Move the atom at index 5 towards the atom at index 0 by 2.837 angstrom in the cif file. | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaTi4O12
_chemical_formula_sum "Na1 La1 Ti4 O12"
_cell_length_a 5.44900287
_cell_length_b 5.44900287
_cell_length_c 7.87305644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00667187
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 510575b5-58a1-4e18-b1e3-fd3ba76d82a0 | mp-771159 | Move the atom at index 17 towards the atom at index 2 by 0.112 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
MoveTowardsAtomAction | 045e240f-61fb-4586-b455-2b0ef26eb17e | mp-16136 | Move the atom at index 16 towards the atom at index 3 by 2.377 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... |
MoveTowardsAtomAction | d05aa734-68cf-492b-b1f6-c209a932801c | mp-675042 | Move the atom at index 23 towards the atom at index 20 by 0.683 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... | data_image0
_chemical_formula_structural Mg16Ti8O8
_chemical_formula_sum "Mg16 Ti8 O8"
_cell_length_a 5.932729
_cell_length_b 6.12230804
_cell_length_c 20.971494330000002
_cell_angle_alpha 82.08305461000002
_cell_angle_beta 82.36754106
_cell_angle_gamma 62.10751249999999
... |
MoveTowardsAtomAction | a8237c9f-8f6d-4add-b899-5f78743cd306 | mp-1103868 | Move the atom at index 3 towards the atom at index 2 by 0.183 angstrom in the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... |
MoveTowardsAtomAction | 1f32fc8f-1f87-4cce-8147-885804e3f373 | mp-616196 | Move the atom at index 12 towards the atom at index 3 by 2.693 angstrom in the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... |
MoveTowardsAtomAction | b62823f9-4a16-4c5d-bb0a-573078c3864e | mp-559695 | Move the atom at index 0 towards the atom at index 8 by 2.169 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveTowardsAtomAction | af7b562f-7def-48c4-a682-3dbe0046b5c2 | mp-850538 | Move the atom at index 15 towards the atom at index 14 by 2.37 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... |
MoveTowardsAtomAction | 107ef52d-8fe6-40fb-ad16-2fb410b5aabc | mp-1190089 | Move the atom at index 16 towards the atom at index 10 by 2.207 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs2Hf4Br18
_chemical_formula_sum "Cs2 Hf4 Br18"
_cell_length_a 6.88181403
_cell_length_b 10.17559558
_cell_length_c 13.247795399999998
_cell_angle_alpha 66.70110233
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | c0fad541-f412-4f68-8b0a-2d71ca999a50 | mp-1219192 | Move the atom at index 7 towards the atom at index 25 by 0.705 angstrom in the cif file. | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... | data_image0
_chemical_formula_structural SmErTi2Fe16Co6
_chemical_formula_sum "Sm1 Er1 Ti2 Fe16 Co6"
_cell_length_a 4.711358
_cell_length_b 6.4268911
_cell_length_c 11.94269413
_cell_angle_alpha 90.00254284
_cell_angle_beta 90.0
_cell_angle_gamma 111.50206514
_space_group... |
MoveTowardsAtomAction | 0b8b52df-789e-47de-a2b3-1964aa898d23 | mp-29239 | Move the atom at index 5 towards the atom at index 12 by 2.861 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Lu4B8Ru4
_chemical_formula_sum "Lu4 B8 Ru4"
_cell_length_a 5.23437906
_cell_length_b 5.79218908
_cell_length_c 6.26149198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | f0b1ec9e-c4ff-47e8-b3ac-722bdbc73221 | mp-555986 | Move the atom at index 17 towards the atom at index 30 by 1.178 angstrom in the cif file. | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... | data_image0
_chemical_formula_structural As2C2S6N4F22
_chemical_formula_sum "As2 C2 S6 N4 F22"
_cell_length_a 6.318984
_cell_length_b 7.2213999
_cell_length_c 13.37401907
_cell_angle_alpha 95.59998720999998
_cell_angle_beta 96.66692612
_cell_angle_gamma 104.08669523999998
... |
MoveTowardsAtomAction | 70a11ffa-85c4-4901-9fa0-c1ee67e93f6d | mp-1223688 | Move the atom at index 26 towards the atom at index 12 by 1.149 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... |
MoveTowardsAtomAction | cab93421-0788-4537-b9b9-5c29af59106b | mp-698063 | Move the atom at index 5 towards the atom at index 31 by 2.99 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... |
MoveTowardsAtomAction | 37ed7162-36d7-4afd-b712-e494f41cf61a | mp-1226178 | Move the atom at index 1 towards the atom at index 3 by 1.225 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... | data_image0
_chemical_formula_structural Cr12BP3
_chemical_formula_sum "Cr12 B1 P3"
_cell_length_a 4.462446
_cell_length_b 6.68693698
_cell_length_c 6.7490850799999995
_cell_angle_alpha 85.43454322
_cell_angle_beta 108.94953747999999
_cell_angle_gamma 108.90029558
_space_... |
MoveTowardsAtomAction | cff61666-6f30-4024-82eb-986da18820b6 | mp-2219347 | Move the atom at index 8 towards the atom at index 7 by 1.624 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 | b2decd43-4af3-44e3-992c-4e7a20f25b92 | mp-757032 | Move the atom at index 6 towards the atom at index 8 by 2.192 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... | data_image0
_chemical_formula_structural Cs6Er2O6
_chemical_formula_sum "Cs6 Er2 O6"
_cell_length_a 7.48436242
_cell_length_b 7.48436204
_cell_length_c 7.5666923299999995
_cell_angle_alpha 83.92575461000001
_cell_angle_beta 96.07424925
_cell_angle_gamma 64.01794376
_space... |
MoveTowardsAtomAction | 41f14549-7fa2-4f9b-b298-66511ddf048a | mp-1223717 | Move the atom at index 27 towards the atom at index 4 by 2.905 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... |
MoveTowardsAtomAction | 88f96156-46c5-4c16-ac78-07e9bf068f1a | mp-757836 | Move the atom at index 4 towards the atom at index 22 by 1.697 angstrom in the cif file. | data_image0
_chemical_formula_structural Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Be4H8Se4O16
_chemical_formula_sum "Be4 H8 Se4 O16"
_cell_length_a 5.718147
_cell_length_b 7.62828
_cell_length_c 7.952448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | df425baa-5b79-4b4d-b838-9f20e541efc5 | mp-29399 | Move the atom at index 12 towards the atom at index 5 by 1.621 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... | data_image0
_chemical_formula_structural Mn4Ni2O8
_chemical_formula_sum "Mn4 Ni2 O8"
_cell_length_a 6.02148477
_cell_length_b 6.0214848199999995
_cell_length_c 6.021485
_cell_angle_alpha 60.00000450999998
_cell_angle_beta 60.000004219999994
_cell_angle_gamma 60.00000310999... |
MoveTowardsAtomAction | a222ea02-e280-4685-9849-eabddae1c9a5 | mp-1043461 | Move the atom at index 48 towards the atom at index 31 by 2.412 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 6fa5a7ab-ae8e-4299-a9e2-b3d69dddaf6f | mp-769705 | Move the atom at index 6 towards the atom at index 10 by 0.267 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 | 79581a9d-f0f3-4a63-b6be-019b31d4e242 | mp-862697 | Move the atom at index 8 towards the atom at index 0 by 1.987 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 935f5644-1f75-43a1-b1f6-b661130d6780 | mp-1567262 | Move the atom at index 6 towards the atom at index 1 by 0.391 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
MoveTowardsAtomAction | 6daa661d-1507-4f2f-b261-2860b5d09ba6 | mp-780766 | Move the atom at index 3 towards the atom at index 2 by 2.596 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... | data_image0
_chemical_formula_structural Fe10O9F11
_chemical_formula_sum "Fe10 O9 F11"
_cell_length_a 4.75422975
_cell_length_b 4.75422975
_cell_length_c 15.53430141
_cell_angle_alpha 89.99088441
_cell_angle_beta 89.99088441
_cell_angle_gamma 91.94371098999999
_space_grou... |
MoveTowardsAtomAction | 644248fe-0504-4005-94b8-c98a7cd0ff0e | mp-1199851 | Move the atom at index 20 towards the atom at index 21 by 0.696 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | 97a00098-7992-4e24-9d73-5f765df734d7 | mp-1111085 | Move the atom at index 3 towards the atom at index 9 by 1.462 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... | data_image0
_chemical_formula_structural Na2VAuF6
_chemical_formula_sum "Na2 V1 Au1 F6"
_cell_length_a 6.160899
_cell_length_b 6.16089921
_cell_length_c 6.16089917
_cell_angle_alpha 60.00000008000001
_cell_angle_beta 59.99999557
_cell_angle_gamma 59.99999577
_space_group_... |
MoveTowardsAtomAction | e7b43825-82ab-4a55-918a-9c60d2ecb9dc | mp-1073789 | Move the atom at index 0 towards the atom at index 9 by 1.812 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... |
MoveTowardsAtomAction | 5819f4f5-50cd-4b78-8b37-d512b2368c1b | mp-758607 | Move the atom at index 6 towards the atom at index 21 by 2.427 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 05aacd95-594a-47d8-9b9b-efed5ff94549 | mp-19442 | Move the atom at index 13 towards the atom at index 0 by 1.097 angstrom in the cif file. | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... | data_image0
_chemical_formula_structural MnNi6O8
_chemical_formula_sum "Mn1 Ni6 O8"
_cell_length_a 5.89233324
_cell_length_b 5.89233555
_cell_length_c 5.89237318
_cell_angle_alpha 60.00125997000001
_cell_angle_beta 60.00127179
_cell_angle_gamma 60.000842299999995
_space_g... |
MoveTowardsAtomAction | a2f2333e-9037-461e-a1eb-40c3ee53525f | mp-1027074 | Move the atom at index 0 towards the atom at index 5 by 1.711 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... |
MoveTowardsAtomAction | 5fe25102-b0e3-4131-806f-6bdec06993df | mp-556532 | Move the atom at index 4 towards the atom at index 21 by 2.123 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al2B6O14
_chemical_formula_sum "Ca2 Al2 B6 O14"
_cell_length_a 7.14232107
_cell_length_b 7.14232107
_cell_length_c 4.411938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.53086852
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a800443f-11a5-4210-893b-057334f21222 | mp-1193590 | Move the atom at index 16 towards the atom at index 14 by 2.006 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... | data_image0
_chemical_formula_structural Gd2Co18Si8
_chemical_formula_sum "Gd2 Co18 Si8"
_cell_length_a 7.90499736
_cell_length_b 7.90499736
_cell_length_c 7.90499736
_cell_angle_alpha 121.62233963999999
_cell_angle_beta 121.62233963999999
_cell_angle_gamma 87.21226789
_s... |
MoveTowardsAtomAction | 123a91b4-2e9b-4bcc-8a2d-6c9fde7dfa19 | mp-1202923 | Move the atom at index 2 towards the atom at index 66 by 1.662 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... | data_image0
_chemical_formula_structural Ho4H32S6O40
_chemical_formula_sum "Ho4 H32 S6 O40"
_cell_length_a 6.699509
_cell_length_b 7.67212663
_cell_length_c 18.36402729
_cell_angle_alpha 101.57689538
_cell_angle_beta 90.0
_cell_angle_gamma 115.88801569
_space_group_name_H... |
MoveTowardsAtomAction | 5cc455a4-98a6-49c9-936b-2d7a5af9d88e | mp-1193964 | Move the atom at index 19 towards the atom at index 6 by 2.538 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ca4Mg2C6O18
_chemical_formula_sum "Ca4 Mg2 C6 O18"
_cell_length_a 4.84879244
_cell_length_b 4.84879244
_cell_length_c 16.59806269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000153999999
_space_group_name_H... |
MoveTowardsAtomAction | d067da3f-d19d-4033-b0e8-9d9bc6aadb05 | mp-766479 | Move the atom at index 10 towards the atom at index 5 by 1.288 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li8Mn2Fe4B8O24
_chemical_formula_sum "Li8 Mn2 Fe4 B8 O24"
_cell_length_a 9.006655
_cell_length_b 5.291647
_cell_length_c 9.95652407
_cell_angle_alpha 89.10302316000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveTowardsAtomAction | da4554ab-3786-4e0a-a0e3-df26a6f9c4f6 | mp-889216 | Move the atom at index 4 towards the atom at index 7 by 2.871 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.546964
_cell_length_b 5.45334602
_cell_length_c 7.536521800000001
_cell_angle_alpha 86.42265089
_cell_angle_beta 89.95481883
_cell_angle_gamma 89.8901646
_space_group_nam... |
MoveTowardsAtomAction | 23425968-39e6-4a11-a4f3-1653a22d0941 | mp-1222724 | Move the atom at index 9 towards the atom at index 7 by 2.806 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... | data_image0
_chemical_formula_structural Lu6Ga19Pd3
_chemical_formula_sum "Lu6 Ga19 Pd3"
_cell_length_a 8.11245202
_cell_length_b 8.11245202
_cell_length_c 15.86676528
_cell_angle_alpha 76.36422931
_cell_angle_beta 76.36422931
_cell_angle_gamma 30.321621739999983
_space_g... |
MoveTowardsAtomAction | 6ca2bbcf-8701-443e-bf64-93b5a28fe778 | mp-763224 | Move the atom at index 22 towards the atom at index 21 by 2.121 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.991426
_cell_length_b 7.063957810000001
_cell_length_c 7.130215940000001
_cell_angle_alpha 101.53322556
_cell_angle_beta 90.21732414
_cell_angle_gamma 90.13568098
_space_... |
MoveTowardsAtomAction | 9d04072d-66b9-43bd-a30c-26b2474370db | mp-2230483 | Move the atom at index 7 towards the atom at index 2 by 0.823 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... | data_image0
_chemical_formula_structural MgV5CrO12
_chemical_formula_sum "Mg1 V5 Cr1 O12"
_cell_length_a 7.05553626
_cell_length_b 7.05539907
_cell_length_c 5.5347176
_cell_angle_alpha 70.33758008
_cell_angle_beta 109.66409515000001
_cell_angle_gamma 103.71570313999999
_s... |
MoveTowardsAtomAction | 47f51b16-37fd-4e1f-846c-23ee6af2f669 | mp-1195793 | Move the atom at index 29 towards the atom at index 31 by 2.925 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ba4Fe4P4H4O20
_chemical_formula_sum "Ba4 Fe4 P4 H4 O20"
_cell_length_a 5.105461
_cell_length_b 8.951228
_cell_length_c 10.086886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | d4067f57-54af-4663-9522-8926fc7408a4 | mp-1233619 | Move the atom at index 26 towards the atom at index 16 by 2.691 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... |
MoveTowardsAtomAction | 3e9cf702-7700-4c4f-a841-8c884f72a349 | mp-1234114 | Move the atom at index 22 towards the atom at index 13 by 1.422 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.19088003
_cell_length_b 5.2832088399999995
_cell_length_c 11.751094119999998
_cell_angle_alpha 88.19506896
_cell_angle_beta 93.5200272
_cell_angle_gamma 92.18298936
_... |
MoveTowardsAtomAction | 6bfac9b3-3f6c-4cf1-8d96-61dc6ca48a3e | mp-753838 | Move the atom at index 10 towards the atom at index 16 by 0.833 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... |
MoveTowardsAtomAction | c59c76d6-f6f9-42dc-b9b9-5f23a69f47eb | mp-861612 | Move the atom at index 13 towards the atom at index 17 by 0.515 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 50910d6b-3021-4c90-8e14-d18ae1b750f3 | mp-557634 | Move the atom at index 1 towards the atom at index 26 by 2.508 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
MoveTowardsAtomAction | 70e808f9-1277-458b-9491-b97f435a245f | mp-568431 | Move the atom at index 37 towards the atom at index 31 by 0.884 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... | data_image0
_chemical_formula_structural Nd12Fe26Sb2
_chemical_formula_sum "Nd12 Fe26 Sb2"
_cell_length_a 13.03642993
_cell_length_b 13.03642993
_cell_length_c 13.03642993
_cell_angle_alpha 143.95074712000002
_cell_angle_beta 143.95074712000002
_cell_angle_gamma 51.9009489... |
MoveTowardsAtomAction | 008cb148-39e6-43ab-979e-14a45e369228 | mp-1520816 | Move the atom at index 31 towards the atom at index 13 by 2.424 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 125d7e92-c716-4c8e-82e2-84e705a7165c | mp-557123 | Move the atom at index 20 towards the atom at index 11 by 2.908 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 93d9c97d-e1de-4055-9b52-5aef43f30030 | mp-1178407 | Move the atom at index 23 towards the atom at index 9 by 0.72 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Cr8P4O20
_chemical_formula_sum "Cr8 P4 O20"
_cell_length_a 6.45024542
_cell_length_b 7.31297143
_cell_length_c 7.40818743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 433eb041-f771-4e2a-8dc7-46c44f12e8eb | mp-614981 | Move the atom at index 0 towards the atom at index 4 by 0.689 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | d26a0a22-69c4-43b0-aa2c-197bb8ce617d | mp-19357 | Move the atom at index 9 towards the atom at index 7 by 1.459 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... | data_image0
_chemical_formula_structural La2Cr2O6
_chemical_formula_sum "La2 Cr2 O6"
_cell_length_a 5.45720057
_cell_length_b 5.45720004
_cell_length_c 5.45749681
_cell_angle_alpha 61.134429309999994
_cell_angle_beta 61.134430159999994
_cell_angle_gamma 61.13540772999999
... |
MoveTowardsAtomAction | 531f77a9-1be2-4aad-93ad-3a717606d2c8 | mp-1208360 | Move the atom at index 17 towards the atom at index 20 by 1.822 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... | data_image0
_chemical_formula_structural Tb2Tl2W4O16
_chemical_formula_sum "Tb2 Tl2 W4 O16"
_cell_length_a 7.65111493
_cell_length_b 7.651114930000001
_cell_length_c 7.497773409999999
_cell_angle_alpha 62.4349798
_cell_angle_beta 62.4349798
_cell_angle_gamma 88.55985652000... |
MoveTowardsAtomAction | df2da462-cee5-491c-b927-a879d46d0cbc | mp-1120783 | Move the atom at index 21 towards the atom at index 52 by 0.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 30f7f7b4-ad46-4b06-b4a3-75cfe27324c4 | mp-1237028 | Move the atom at index 0 towards the atom at index 18 by 0.986 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | ccd768b7-4f6f-424f-a64c-6c08af645f05 | mp-759335 | Move the atom at index 87 towards the atom at index 32 by 0.532 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
MoveTowardsAtomAction | d7fb47dc-b616-4299-b150-491f483d971d | mp-1210947 | Move the atom at index 15 towards the atom at index 22 by 1.79 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 | 2c1c6369-9a0f-4110-a8e6-1ac67fc66a6c | mp-1188318 | Move the atom at index 12 towards the atom at index 16 by 1.368 angstrom in the cif file. | data_image0
_chemical_formula_structural Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 Si2H16
_chemical_formula_sum "Si2 H16"
_cell_length_a 5.53813922
_cell_length_b 5.55217752
_cell_length_c 7.5952981
_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 | 66b45e7c-3473-476d-b3f7-332c1fb8047b | mp-1028063 | Move the atom at index 2 towards the atom at index 15 by 2.585 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 | fd4766e4-36fe-414f-82ab-9ebb5c4d4c32 | mp-773047 | Move the atom at index 12 towards the atom at index 28 by 0.48 angstrom in the cif file. | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... | data_image0
_chemical_formula_structural K3Nb6P3O24
_chemical_formula_sum "K3 Nb6 P3 O24"
_cell_length_a 8.52236369
_cell_length_b 8.52236369
_cell_length_c 8.52236338
_cell_angle_alpha 104.13103007
_cell_angle_beta 104.13103007
_cell_angle_gamma 104.13102101
_space_group... |
MoveTowardsAtomAction | cebaa70c-83e7-4d48-a4af-525ca4930e4c | mp-766119 | Move the atom at index 21 towards the atom at index 37 by 2.378 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 | 528b3846-099f-479e-85d8-7a4f7dda8b42 | mp-14926 | Move the atom at index 37 towards the atom at index 39 by 2.158 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 792566db-c150-410a-b5b9-ec329fa84bc2 | mp-759828 | Move the atom at index 28 towards the atom at index 8 by 1.655 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... |
MoveTowardsAtomAction | 16d714d0-1084-4ff3-99b7-494d4bc66488 | mp-2715503 | Move the atom at index 44 towards the atom at index 49 by 1.56 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
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