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 | fde9ed02-cc5f-4810-9ac4-c07303b76087 | mp-1210688 | Move the atom at index 23 towards the atom at index 10 by 2.308 angstrom in the cif file. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... |
MoveTowardsAtomAction | 7f2cb956-112c-4479-845e-81bf0744f861 | mp-1332857 | Move the atom at index 15 towards the atom at index 11 by 1.502 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... |
MoveTowardsAtomAction | 7a4df3c8-749f-4938-9a08-e192116fd9cc | mp-1210254 | Move the atom at index 5 towards the atom at index 22 by 2.993 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | e91ef067-1520-405a-b368-98b736668191 | mp-989179 | Move the atom at index 20 towards the atom at index 16 by 2.841 angstrom in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 | c4715229-7c3f-4d2a-9de0-eb67fb1b3777 | mp-1244962 | Move the atom at index 48 towards the atom at index 51 by 2.597 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... |
MoveTowardsAtomAction | 37cd0d42-ed7e-4879-a75d-3add049dc1f1 | mp-766138 | Move the atom at index 19 towards the atom at index 7 by 1.828 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... |
MoveTowardsAtomAction | a5960d10-0bb0-49c4-bf3c-0c3c2060d88a | mp-696780 | Move the atom at index 38 towards the atom at index 14 by 0.419 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | d6eb4090-e468-4b0d-837c-92f3728d25f4 | mp-1666930 | Move the atom at index 30 towards the atom at index 6 by 1.083 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... |
MoveTowardsAtomAction | be180f82-5a90-40c9-9c1c-b31a960dd2b0 | mp-29778 | Move the atom at index 10 towards the atom at index 2 by 2.023 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8838ce84-65ae-47e9-b154-3a810ebe02a5 | mp-23702 | Move the atom at index 0 towards the atom at index 13 by 0.584 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... |
MoveTowardsAtomAction | 1f77d271-4477-4e37-a963-14db5bc9eb9f | mp-1208464 | Move the atom at index 22 towards the atom at index 19 by 1.863 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... |
MoveTowardsAtomAction | c8b84deb-14a9-461d-8432-22036adbd165 | mp-1097047 | Move the atom at index 9 towards the atom at index 25 by 1.122 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... |
MoveTowardsAtomAction | 4a2b3b5a-1612-4325-9e32-159907a6f6aa | mp-1516503 | Move the atom at index 2 towards the atom at index 4 by 0.702 angstrom in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveTowardsAtomAction | f3fed932-0c64-4dbd-b9ae-80df0c5797d2 | mp-26956 | Move the atom at index 14 towards the atom at index 23 by 1.839 angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 4dcdaa06-992a-463f-8ac4-f4cd59587e9d | mp-1245617 | Move the atom at index 0 towards the atom at index 1 by 2.432 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8568cccd-7be2-4db9-9149-6c2add800614 | mp-1105068 | Move the atom at index 9 towards the atom at index 0 by 1.013 angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveTowardsAtomAction | 6d9dff27-6e28-4924-a9ed-fa098c54abec | mp-2229983 | Move the atom at index 18 towards the atom at index 5 by 1.935 angstrom in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... |
MoveTowardsAtomAction | 21dcc661-ee89-4866-96e3-ed61a2ce7a99 | mp-1320208 | Move the atom at index 1 towards the atom at index 11 by 1.029 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... |
MoveTowardsAtomAction | fa738ecf-7f84-4f90-91ad-b93a57fa97a3 | mp-531064 | Move the atom at index 40 towards the atom at index 35 by 1.299 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 | 6450bcbe-a669-476a-820a-d4b9fcb9969c | mp-3380 | Move the atom at index 5 towards the atom at index 11 by 0.105 angstrom in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | c36c8132-a083-41fa-8829-d7fe079a6015 | mp-1172905 | Move the atom at index 10 towards the atom at index 7 by 2.92 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 0174efd3-4b02-4135-ba95-dd4967516488 | mp-1211239 | Move the atom at index 2 towards the atom at index 11 by 1.568 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... |
MoveTowardsAtomAction | 336dbfbd-8569-4e17-937d-ae7ceabab8ea | mp-1218449 | Move the atom at index 15 towards the atom at index 2 by 2.899 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveTowardsAtomAction | fdbee356-d9d5-479c-9f5c-eac9c81b8736 | mp-557626 | Move the atom at index 7 towards the atom at index 29 by 2.489 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 | 232815c5-7f14-4118-874d-244c12fd14f1 | mp-1218759 | Move the atom at index 1 towards the atom at index 12 by 0.608 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_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 Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 21c9ae36-e51a-498e-8682-3bad7843498e | mp-1213447 | Move the atom at index 59 towards the atom at index 55 by 2.825 angstrom in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... |
MoveTowardsAtomAction | 51a432e1-c516-480a-a8ba-ae05234046ef | mp-1521703 | Move the atom at index 3 towards the atom at index 7 by 2.941 angstrom in the cif file. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | ed5e478a-20d8-4279-af0f-620e6def8824 | mp-1196464 | Move the atom at index 31 towards the atom at index 7 by 2.497 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 | 086eebea-91c2-4214-9bbc-67a8c1307ab0 | mp-531661 | Move the atom at index 38 towards the atom at index 34 by 2.159 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveTowardsAtomAction | 7dd59d7e-7a8a-4f1d-9e83-5c2a9fd88a39 | mp-1175891 | Move the atom at index 23 towards the atom at index 20 by 0.445 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... |
MoveTowardsAtomAction | 816057bb-6f07-4cbf-9632-a7a5468bcafc | mp-728431 | Move the atom at index 3 towards the atom at index 20 by 0.364 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... |
MoveTowardsAtomAction | 4c429f56-0036-4551-a9e7-e7f8116937c0 | mp-1019719 | Move the atom at index 11 towards the atom at index 47 by 0.795 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... |
MoveTowardsAtomAction | 2e4a0071-4e50-4ab2-8e0f-33ddea48a03b | mp-1072988 | Move the atom at index 5 towards the atom at index 13 by 2.274 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... |
MoveTowardsAtomAction | f3210d2f-107f-48a9-9695-b53092aba38c | mp-1095411 | Move the atom at index 10 towards the atom at index 4 by 0.932 angstrom in the cif file. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... |
MoveTowardsAtomAction | 2b6130ca-aee7-4a35-9757-f099bd99704c | mp-28684 | Move the atom at index 30 towards the atom at index 11 by 2.974 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 425d290b-f348-46c6-8e92-4f1246ae664d | mp-1208667 | Move the atom at index 14 towards the atom at index 5 by 2.408 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... |
MoveTowardsAtomAction | 460b6792-7beb-44b9-a54c-22899778c6bf | mp-1080794 | Move the atom at index 2 towards the atom at index 8 by 1.476 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... |
MoveTowardsAtomAction | d7684499-ae05-43bf-8c02-1574da0d9eb4 | mp-2713621 | Move the atom at index 16 towards the atom at index 34 by 2.519 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveTowardsAtomAction | 0f8a40fa-9fce-455f-a7fc-2a10424fc60d | mp-1028643 | Move the atom at index 0 towards the atom at index 5 by 0.4 angstrom in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... |
MoveTowardsAtomAction | 3a8dc191-167c-46f7-b7ef-1f1081783a2a | mp-1196543 | Move the atom at index 10 towards the atom at index 13 by 1.542 angstrom in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
MoveTowardsAtomAction | 9733f705-51bf-4784-989c-10bf6f7461f2 | mp-29393 | Move the atom at index 12 towards the atom at index 6 by 1.341 angstrom in the cif file. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 71d91c3e-ce6c-4079-9609-489419288532 | mp-758894 | Move the atom at index 13 towards the atom at index 12 by 1.845 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 4f45ea2f-90a7-4999-976f-4d9ffebae253 | mp-1212483 | Move the atom at index 16 towards the atom at index 26 by 0.765 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | b40befc8-9b4e-405f-a190-a4a81f26f44d | mp-1516307 | Move the atom at index 9 towards the atom at index 5 by 1.015 angstrom in the cif file. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
MoveTowardsAtomAction | 2a8d7092-8758-43cb-9244-421bcb7a959a | mp-1201281 | Move the atom at index 36 towards the atom at index 2 by 2.23 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | c9d14f6e-5e08-496a-b580-5cf239d562ff | mp-1075627 | Move the atom at index 18 towards the atom at index 25 by 2.788 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... |
MoveTowardsAtomAction | 8c407a78-3eb4-41fb-8cc4-7b2d3c22fa87 | mp-1105354 | Move the atom at index 12 towards the atom at index 2 by 1.941 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... |
MoveTowardsAtomAction | 78a3b53e-2cd3-4d6f-940b-3f9a4f46211c | mp-1228475 | Move the atom at index 46 towards the atom at index 13 by 2.11 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 5b71edd5-f702-480e-8ee8-1f5cd1b7b2b5 | mp-1401213 | Move the atom at index 1 towards the atom at index 11 by 1.072 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... |
MoveTowardsAtomAction | 39ed1fc0-f47e-4281-bab2-7a86cbbfe230 | mp-1176457 | Move the atom at index 8 towards the atom at index 9 by 1.891 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... |
MoveTowardsAtomAction | 90ef7184-a43c-41cb-ba3d-2cfae516a118 | mp-30012 | Move the atom at index 9 towards the atom at index 35 by 1.335 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 40c3e378-ee58-4610-83f4-d86e267e00a7 | mp-758646 | Move the atom at index 6 towards the atom at index 21 by 0.339 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 5095b00b-6f76-4bec-afa0-4f49d2c091a5 | mp-1239191 | Move the atom at index 25 towards the atom at index 9 by 1.857 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 | 42faa2b6-82c4-4899-9816-f46a33fe9dc6 | mp-850401 | Move the atom at index 19 towards the atom at index 26 by 1.151 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... |
MoveTowardsAtomAction | f18d4ca5-00a2-4119-96b4-ff678f3fdfad | mp-1029771 | Move the atom at index 5 towards the atom at index 18 by 2.358 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveTowardsAtomAction | f2a5e195-12fe-4327-b4ec-da73d5419121 | mp-763174 | Move the atom at index 20 towards the atom at index 22 by 0.874 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... |
MoveTowardsAtomAction | 47b0f069-e8bd-408a-b54f-47c79c1ae111 | mp-1175453 | Move the atom at index 14 towards the atom at index 3 by 2.991 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... |
MoveTowardsAtomAction | afe95577-8f3b-4cd2-99fe-2369c2b99960 | mp-1194096 | Move the atom at index 58 towards the atom at index 25 by 2.203 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... |
MoveTowardsAtomAction | e75a2776-549f-41c1-95b9-33e12b15a01f | mp-23013 | Move the atom at index 11 towards the atom at index 0 by 0.772 angstrom in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | 6cd5bb5f-0138-4454-ba57-90167364056f | mp-1198616 | Move the atom at index 23 towards the atom at index 12 by 2.381 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... |
MoveTowardsAtomAction | 33d5922c-f2f3-4a26-9200-567d03b8dc83 | mp-980108 | Move the atom at index 13 towards the atom at index 9 by 0.306 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 4f097ea4-c4d1-490b-ad1b-1d3fd6952edf | mp-1217947 | Move the atom at index 7 towards the atom at index 34 by 0.661 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | e5a63c4b-35c7-4e30-b192-e65959186a5f | mp-697807 | Move the atom at index 24 towards the atom at index 52 by 0.11 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
MoveTowardsAtomAction | 36c42e48-17e4-471c-9e6f-337bb06e5082 | mp-755699 | Move the atom at index 9 towards the atom at index 11 by 0.267 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... |
MoveTowardsAtomAction | e5d81c81-68eb-4a02-9df2-9d62dd39dcf3 | mp-625941 | Move the atom at index 7 towards the atom at index 4 by 2.6 angstrom in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
MoveTowardsAtomAction | 566af53f-3558-4ebe-acea-a6e43bf274e4 | mp-1179245 | Move the atom at index 27 towards the atom at index 11 by 1.77 angstrom in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
MoveTowardsAtomAction | a7540333-9945-4810-86a9-9c705c53f959 | mp-1114234 | Move the atom at index 4 towards the atom at index 6 by 0.888 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | 43fcfd31-1e5f-4338-8764-da191c420318 | mp-766386 | Move the atom at index 40 towards the atom at index 20 by 1.505 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... |
MoveTowardsAtomAction | f6d9de4f-2efc-463d-b3b5-bc0312e18a5f | mp-757196 | Move the atom at index 12 towards the atom at index 18 by 2.545 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
MoveTowardsAtomAction | 80746d72-3a1a-4ba7-8a2b-6ef9e379e37e | mp-768505 | Move the atom at index 4 towards the atom at index 19 by 1.547 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... |
MoveTowardsAtomAction | 9e61a6a0-21ba-450d-93a5-9749dc7cff27 | mp-1208355 | Move the atom at index 4 towards the atom at index 6 by 1.051 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... |
MoveTowardsAtomAction | 52066c20-fb2a-4078-9eab-94981eff6cc4 | mp-978989 | Move the atom at index 15 towards the atom at index 10 by 0.156 angstrom in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | ec6bc910-86ec-4b4e-b773-cc04e6b337ac | mp-1079634 | Move the atom at index 5 towards the atom at index 7 by 1.256 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a70a6093-6685-4241-9bda-5e6cec994693 | mp-1223532 | Move the atom at index 8 towards the atom at index 7 by 0.489 angstrom in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | 694b8686-2343-4b5a-bbfd-fd935758c344 | mp-1043615 | Move the atom at index 34 towards the atom at index 31 by 1.239 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | c46d5296-d1fe-47a7-b07c-7eba33d5bc12 | mp-1206319 | Move the atom at index 1 towards the atom at index 7 by 2.336 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... |
MoveTowardsAtomAction | b078de37-57ea-4a36-8238-8771aaca3dec | mp-850540 | Move the atom at index 4 towards the atom at index 61 by 2.911 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | acfca7b4-88db-44d9-a679-89acce8ec793 | mp-549058 | Move the atom at index 8 towards the atom at index 4 by 1.991 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... |
MoveTowardsAtomAction | b671ca4a-645d-416e-9764-b40111cac37c | mp-1192688 | Move the atom at index 26 towards the atom at index 7 by 2.737 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 28662aff-b8ee-4657-975e-76c3d7ff85b1 | mp-1228441 | Move the atom at index 1 towards the atom at index 36 by 0.785 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ac848e48-ffdf-4bc8-99a2-af220cd29ba9 | mp-6606 | Move the atom at index 17 towards the atom at index 22 by 2.841 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 | 98ae7db0-b847-4e09-8941-72c2c24e423e | mp-1229042 | Move the atom at index 30 towards the atom at index 26 by 0.915 angstrom in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... |
MoveTowardsAtomAction | cc7e773a-8c8a-43a4-9df1-becba99a70d4 | mp-1220380 | Move the atom at index 1 towards the atom at index 7 by 1.265 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 26c4a564-db3a-4def-8879-eb3dba761474 | mp-2713601 | Move the atom at index 40 towards the atom at index 58 by 2.492 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... |
MoveTowardsAtomAction | e38b05f2-9c0c-4134-8303-6459bb0447a5 | mp-1218286 | Move the atom at index 12 towards the atom at index 2 by 2.822 angstrom in the cif file. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... |
MoveTowardsAtomAction | 56ea1ffd-61f7-412c-9691-86fa8e485f0c | mp-642735 | Move the atom at index 2 towards the atom at index 0 by 1.479 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | c67bcbd2-bf08-4a65-9094-1c37fd78ce35 | mp-1204112 | Move the atom at index 19 towards the atom at index 39 by 2.79 angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
MoveTowardsAtomAction | 5bbcf137-7a1c-4f2a-888a-3d7d2551d519 | mp-31273 | Move the atom at index 8 towards the atom at index 2 by 0.564 angstrom in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 96a0545d-3a92-4a1b-b87b-a78cd1ca5a4c | mp-759173 | Move the atom at index 9 towards the atom at index 2 by 2.147 angstrom in the cif file. | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | a6cf5ebe-4853-4317-8298-061948d02e37 | mp-1521970 | Move the atom at index 16 towards the atom at index 22 by 2.837 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_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 Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | a685aca3-a1cf-411d-93b4-1f61e33f6310 | mp-1239141 | Move the atom at index 8 towards the atom at index 2 by 0.948 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 3ac5083b-92dc-4b80-b9d4-c7f85cd6bd30 | mp-607917 | Move the atom at index 35 towards the atom at index 14 by 2.685 angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveTowardsAtomAction | c407967a-5b8a-4fee-b429-d0c750767c63 | mp-695887 | Move the atom at index 16 towards the atom at index 1 by 0.464 angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... |
MoveTowardsAtomAction | 18d4306c-0a37-4afc-b0f3-d6c73aa2d39e | mp-1245505 | Move the atom at index 0 towards the atom at index 10 by 1.399 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 488623c2-c2c1-4e0a-a6bf-dc37737e671f | mp-541094 | Move the atom at index 39 towards the atom at index 15 by 0.752 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... |
MoveTowardsAtomAction | 6180a99e-088f-4a52-ba21-a06daba5b40d | mp-1029952 | Move the atom at index 2 towards the atom at index 1 by 1.026 angstrom in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... |
MoveTowardsAtomAction | 999fe64c-501e-4e68-ba8a-99649c615a79 | mp-1197808 | Move the atom at index 19 towards the atom at index 28 by 0.875 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 | c33cae37-4698-4e24-9b6b-6d0efbcbf4ff | mp-1041051 | Move the atom at index 6 towards the atom at index 34 by 0.537 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... |
MoveTowardsAtomAction | 89082f0c-b801-477a-988b-9b8ea90dec04 | mp-1204185 | Move the atom at index 54 towards the atom at index 25 by 0.491 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
MoveTowardsAtomAction | 8536bf82-09fd-47fe-a622-ac7c6c1a435f | mp-560603 | Move the atom at index 3 towards the atom at index 24 by 2.772 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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