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 | d1a77f47-1072-4841-bd55-76da12d58e93 | mp-636519 | Move the atom at index 10 towards the atom at index 8 by 2.691 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... |
MoveTowardsAtomAction | 3e6b7817-d469-4bc8-8bfa-e652f6e825aa | mp-3606 | Move the atom at index 7 towards the atom at index 14 by 2.203 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Si4N8
_chemical_formula_sum "Mn4 Si4 N8"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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 Mn4Si4N8
_chemical_formula_sum "Mn4 Si4 N8"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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 | fa89acee-8446-43a0-9edc-06f753e788b5 | mp-561286 | Move the atom at index 20 towards the atom at index 13 by 0.76 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... |
MoveTowardsAtomAction | e2b6b075-85a2-4d68-93a9-b069c65e87ee | mp-861612 | Move the atom at index 8 towards the atom at index 13 by 1.011 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 | cf0413fe-4b15-484d-adbd-64c4b99e94e5 | mp-753290 | Move the atom at index 6 towards the atom at index 9 by 0.706 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | ecbc3c57-bf08-4031-b22c-f1a2ad787e92 | mp-1521801 | Move the atom at index 7 towards the atom at index 9 by 1.652 angstrom in the cif file. | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... |
MoveTowardsAtomAction | 9b525c41-782e-4713-8c00-57af06b5c70d | mp-1110828 | Move the atom at index 1 towards the atom at index 6 by 2.245 angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... |
MoveTowardsAtomAction | d1cc5f85-61e7-43bf-a94d-8c39b7ac4736 | mp-1193266 | Move the atom at index 28 towards the atom at index 1 by 0.203 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveTowardsAtomAction | 130dea38-5607-46d4-974f-2a8f58f6b50d | mp-1181370 | Move the atom at index 10 towards the atom at index 9 by 0.407 angstrom in the cif file. | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... |
MoveTowardsAtomAction | 06040db6-ef68-4226-9b77-d9e99bd4c48d | mp-674329 | Move the atom at index 2 towards the atom at index 13 by 0.997 angstrom in the cif file. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... |
MoveTowardsAtomAction | 9a32c603-0276-49c6-82d7-140eeaf7daf1 | mp-1196042 | Move the atom at index 65 towards the atom at index 10 by 2.711 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveTowardsAtomAction | bd821e7e-6129-4dc5-b534-34e1df3f8a19 | mp-1174239 | Move the atom at index 20 towards the atom at index 3 by 1.305 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... |
MoveTowardsAtomAction | 93fca32a-7c98-43d4-8393-8cec1f75271a | mp-772833 | Move the atom at index 10 towards the atom at index 2 by 0.419 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_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 | bf1e2e7d-8743-4be1-99c2-ee204a030507 | mp-600078 | Move the atom at index 25 towards the atom at index 7 by 2.823 angstrom in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
MoveTowardsAtomAction | 1416fe6d-560f-4d3f-8c85-aa680310354a | mp-1412166 | Move the atom at index 0 towards the atom at index 5 by 0.623 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... |
MoveTowardsAtomAction | f1ddf945-5254-4ba7-853a-dd4a92388155 | mp-1033806 | Move the atom at index 28 towards the atom at index 11 by 0.246 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 2c7ccd3f-a858-4592-98b5-03b6a3a22e65 | mp-530449 | Move the atom at index 81 towards the atom at index 44 by 2.223 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... |
MoveTowardsAtomAction | 02c46557-edaf-4305-b2ad-82f7aa87dca2 | mp-1105910 | Move the atom at index 1 towards the atom at index 15 by 0.444 angstrom in the cif file. | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... |
MoveTowardsAtomAction | b108524f-6235-4c95-aba0-32e5e46132ad | mp-2230615 | Move the atom at index 9 towards the atom at index 11 by 1.025 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... |
MoveTowardsAtomAction | 5a0e2380-9655-4a69-9cfb-98df4c8f18b4 | mp-1033806 | Move the atom at index 8 towards the atom at index 1 by 1.949 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 5c463d71-97f5-468e-b055-6b19aa956d7b | mp-1647971 | Move the atom at index 2 towards the atom at index 1 by 2.306 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... |
MoveTowardsAtomAction | 9b25f857-89b1-430e-ae4f-7a99e5e548e9 | mp-1177033 | Move the atom at index 8 towards the atom at index 55 by 1.556 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... |
MoveTowardsAtomAction | 39d2371d-cc15-40c5-b52a-c61d47189590 | mp-1218545 | Move the atom at index 6 towards the atom at index 21 by 1.521 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... |
MoveTowardsAtomAction | 82113060-8392-4a39-95e1-e0de840ffe4b | mp-1099923 | Move the atom at index 37 towards the atom at index 39 by 0.113 angstrom in the cif file. | data_image0
_chemical_formula_structural La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 | 2317017e-21b0-40b4-8984-bc3d4e30ca27 | mp-686371 | Move the atom at index 98 towards the atom at index 2 by 2.886 angstrom in the cif file. | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... |
MoveTowardsAtomAction | b7c7fa89-6fe7-4c26-8c5e-60b8934c99fb | mp-2526683 | Move the atom at index 19 towards the atom at index 21 by 2.328 angstrom in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
MoveTowardsAtomAction | 216ed1b1-5c2c-4418-a46b-5c0b6922f435 | mp-557062 | Move the atom at index 17 towards the atom at index 15 by 1.902 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 60ba8d4d-2fa5-49bb-b6ae-a3372504b25d | mp-1175687 | Move the atom at index 19 towards the atom at index 29 by 2.761 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... |
MoveTowardsAtomAction | 22b92e7d-ef67-4bd9-9f8f-e132b7c9491c | mp-2218162 | Move the atom at index 1 towards the atom at index 6 by 1.172 angstrom in the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... |
MoveTowardsAtomAction | 27065f81-0cc2-4cfa-8876-19c0d4d85fde | mp-782632 | Move the atom at index 61 towards the atom at index 27 by 2.338 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | f07de6c4-fbe0-4dcb-8c4e-3008d00eb450 | mp-1046973 | Move the atom at index 6 towards the atom at index 21 by 2.074 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... |
MoveTowardsAtomAction | eafa23e6-6697-4199-a8a6-3888e3a1fda7 | mp-31279 | Move the atom at index 50 towards the atom at index 48 by 2.859 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 97160283-4ca9-444a-bc8b-0186be16410f | mp-1516887 | Move the atom at index 2 towards the atom at index 0 by 0.181 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | b8eae833-55c7-43de-aa29-d10f65a86ace | mp-1208858 | Move the atom at index 13 towards the atom at index 8 by 1.142 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | fb321471-7039-4cbf-95b7-7149f50c5224 | mp-780241 | Move the atom at index 57 towards the atom at index 38 by 1.507 angstrom in the cif file. | data_image0
_chemical_formula_structural Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_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 Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | f44188b7-71f4-4863-b552-92b8d5731aff | mp-1213837 | Move the atom at index 3 towards the atom at index 7 by 0.797 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 288532a6-9391-41ad-bdbe-648688524661 | mp-1189474 | Move the atom at index 14 towards the atom at index 5 by 1.04 angstrom in the cif file. | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... |
MoveTowardsAtomAction | 9c046581-345f-485a-883d-68163ada1577 | mp-1196849 | Move the atom at index 5 towards the atom at index 7 by 0.195 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 90221463-edfc-473e-8bf6-bdaf352c2002 | mp-15804 | Move the atom at index 10 towards the atom at index 7 by 1.313 angstrom in the cif file. | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 6d91bad4-9218-4ce2-bc6d-a13ae0ccd3d8 | mp-756828 | Move the atom at index 8 towards the atom at index 7 by 2.652 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... |
MoveTowardsAtomAction | 2e9b4b0a-d9a0-443a-9ad5-6e763ea87ab6 | mp-23792 | Move the atom at index 3 towards the atom at index 21 by 2.984 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... |
MoveTowardsAtomAction | f771e576-08eb-4256-b6ae-75a8cbb72275 | mp-757379 | Move the atom at index 19 towards the atom at index 36 by 1.173 angstrom in the cif file. | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... |
MoveTowardsAtomAction | d4ccf0da-8bfa-4650-936b-da1fbe0e89e4 | mp-1290409 | Move the atom at index 28 towards the atom at index 9 by 2.274 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... |
MoveTowardsAtomAction | 1a8e88f1-a097-499a-8fc7-9a88056a31d4 | mp-770417 | Move the atom at index 24 towards the atom at index 26 by 1.932 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
MoveTowardsAtomAction | 43dfbafd-bbcf-46af-b390-a272a3aebd84 | mp-1074681 | Move the atom at index 6 towards the atom at index 10 by 0.259 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... |
MoveTowardsAtomAction | 61f953fe-3126-4a8c-b9be-af2877cf896f | mp-1175691 | Move the atom at index 19 towards the atom at index 1 by 2.416 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... |
MoveTowardsAtomAction | d9fd9e1b-b0f4-41e6-9a05-12adbe538425 | mp-755078 | Move the atom at index 4 towards the atom at index 15 by 2.855 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... |
MoveTowardsAtomAction | ab49acf5-cba2-4045-8aad-b31f9b17df39 | mp-1214285 | Move the atom at index 4 towards the atom at index 21 by 2.118 angstrom in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 71a61f2e-cbbb-4f81-8435-93d72713e6fc | mp-754319 | Move the atom at index 1 towards the atom at index 3 by 0.437 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
MoveTowardsAtomAction | af8ed3cc-d3ae-4551-abd3-4fdb631fd8ca | mp-531566 | Move the atom at index 38 towards the atom at index 35 by 0.647 angstrom in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... |
MoveTowardsAtomAction | 16ed2ed4-f7ad-4b48-a370-800ca5574840 | mp-30215 | Move the atom at index 37 towards the atom at index 10 by 2.744 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 9457cd98-2d7a-40e1-8bc9-da487ea24c48 | mp-1213761 | Move the atom at index 24 towards the atom at index 35 by 2.016 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 | b1e5e5ca-2f42-45d2-96b1-26390de34d7b | mp-1079648 | Move the atom at index 6 towards the atom at index 1 by 0.67 angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | bd954505-0297-4dbd-af89-d525e5354029 | mp-1029069 | Move the atom at index 2 towards the atom at index 7 by 2.163 angstrom in the cif file. | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a4562bde-f3c3-47b4-8bff-3531953a33db | mp-1516907 | Move the atom at index 5 towards the atom at index 9 by 2.108 angstrom in the cif file. | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... |
MoveTowardsAtomAction | a5188238-c8a8-42fb-9d00-80a541a0dcf2 | mp-504385 | Move the atom at index 45 towards the atom at index 40 by 2.602 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 72016a02-4d06-42c7-bb6e-d1a1aab53721 | mp-778828 | Move the atom at index 5 towards the atom at index 4 by 2.167 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... |
MoveTowardsAtomAction | b078cb00-9d8f-45e3-b906-3065cf4a74dc | mp-1228941 | Move the atom at index 17 towards the atom at index 24 by 2.764 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... |
MoveTowardsAtomAction | ba6732fb-6777-4cb9-aa78-2c92a8531cf4 | mp-753838 | Move the atom at index 18 towards the atom at index 13 by 2.122 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 | 5760aba9-1377-4987-b2d0-0f61fd97fbed | mp-1120783 | Move the atom at index 41 towards the atom at index 9 by 2.084 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 | 707e69c5-ea80-4754-8619-968728ad32be | mp-720430 | Move the atom at index 7 towards the atom at index 35 by 2.56 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... |
MoveTowardsAtomAction | a7c4af06-74ca-4962-a2c3-4978c4b440ce | mp-850538 | Move the atom at index 15 towards the atom at index 7 by 0.937 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 | 4b4c93b9-77af-432c-a219-b22557e23cb6 | mp-1212478 | Move the atom at index 5 towards the atom at index 1 by 2.464 angstrom in the cif file. | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... |
MoveTowardsAtomAction | 82ed9e8a-cc9b-4c65-b30a-5e72f1ece8f1 | mp-849612 | Move the atom at index 21 towards the atom at index 37 by 2.612 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... |
MoveTowardsAtomAction | c1794d1f-636a-4d91-b1da-142ede5e6dd3 | mp-1239141 | Move the atom at index 23 towards the atom at index 27 by 1.706 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 | cc94241f-5656-4576-86c9-6b48e55c8953 | mp-1193190 | Move the atom at index 14 towards the atom at index 18 by 1.007 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b6ed66e6-e1b1-413b-ab56-0f16e562993a | mp-12885 | Move the atom at index 10 towards the atom at index 11 by 0.299 angstrom in the cif file. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... |
MoveTowardsAtomAction | bcc5a414-dc82-4798-9247-8dc6e2e0ab46 | mp-1073523 | Move the atom at index 9 towards the atom at index 4 by 1.344 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_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 Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveTowardsAtomAction | 59d8af30-dcc2-4e69-9312-abe1f7b5ff9b | mp-1518567 | Move the atom at index 39 towards the atom at index 27 by 2.384 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_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 Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 302fd767-0cbe-4dd0-9f34-2367aae92416 | mp-755794 | Move the atom at index 11 towards the atom at index 2 by 1.841 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... |
MoveTowardsAtomAction | f7a98df6-d80e-412b-8065-afc4f1d326e4 | mp-1176342 | Move the atom at index 24 towards the atom at index 27 by 1.333 angstrom in the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... |
MoveTowardsAtomAction | 7164a4eb-4e00-4555-8143-b081faae2620 | mp-695906 | Move the atom at index 28 towards the atom at index 82 by 0.41 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | b0143437-1546-4e14-9378-6f650349248b | mp-18292 | Move the atom at index 6 towards the atom at index 21 by 1.147 angstrom in the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 6cf31836-9a11-45e0-97de-069a8312e2cf | mp-1218391 | Move the atom at index 9 towards the atom at index 12 by 0.887 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... |
MoveTowardsAtomAction | a8e66f8b-34bb-4a4a-b179-cb0296157afc | mp-1204213 | Move the atom at index 62 towards the atom at index 18 by 2.134 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 03ded2c9-99c1-47ca-8b21-3d2da1a2c910 | mp-22071 | Move the atom at index 5 towards the atom at index 2 by 1.944 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveTowardsAtomAction | 7971088b-27e2-4c53-bb5b-1274e125d83e | mp-979041 | Move the atom at index 7 towards the atom at index 2 by 1.01 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | fb143d92-96ff-4bb6-9281-759c62bea54a | mp-1194067 | Move the atom at index 6 towards the atom at index 12 by 0.118 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... |
MoveTowardsAtomAction | b12147c6-93e7-4daa-bfd4-61340a81a34a | mp-1111088 | Move the atom at index 4 towards the atom at index 3 by 1.008 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveTowardsAtomAction | 6a6c43ee-0623-47c5-8bdd-5b641d09dc25 | mp-1105449 | Move the atom at index 3 towards the atom at index 1 by 1.662 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 69eb4de6-80bb-4d05-aa2a-95cdc23755ba | mp-2749603 | Move the atom at index 12 towards the atom at index 17 by 2.634 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 | 61245488-6ebc-489f-b1d0-4cd97b580e2f | mp-568761 | Move the atom at index 13 towards the atom at index 1 by 0.932 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 | 54f60db2-e20c-480a-9bf5-e03fac61fa41 | mp-1228061 | Move the atom at index 4 towards the atom at index 6 by 0.749 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 8fbe41ed-70a6-4faf-b50c-29f9098a3bb3 | mp-1376216 | Move the atom at index 19 towards the atom at index 2 by 0.737 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | d5c69b34-2dce-450b-aa5a-4105d019fce2 | mp-1213188 | Move the atom at index 13 towards the atom at index 7 by 0.358 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... |
MoveTowardsAtomAction | 7aae85fb-2449-4641-a815-914ba0cf6606 | mp-674343 | Move the atom at index 1 towards the atom at index 24 by 0.121 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... |
MoveTowardsAtomAction | 0d077dbb-2bda-4729-8005-e86e9d591760 | mp-740718 | Move the atom at index 16 towards the atom at index 67 by 2.88 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 574bed5c-0f21-49e3-8f41-c58ab6c75cb3 | mp-1194795 | Move the atom at index 8 towards the atom at index 30 by 2.386 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 994e0698-3519-42fb-b6ea-50e945de7c72 | mp-1349418 | Move the atom at index 0 towards the atom at index 32 by 0.128 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 | 53ded1d7-4468-41fe-aba5-9e289a74e0cf | mp-629560 | Move the atom at index 23 towards the atom at index 38 by 1.634 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... |
MoveTowardsAtomAction | bd2234ea-fa65-48b4-b667-2792170c87d9 | mp-1214888 | Move the atom at index 16 towards the atom at index 20 by 1.809 angstrom in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... |
MoveTowardsAtomAction | 0d3c2941-e1ec-43c2-829e-91ff36d3a798 | mp-9619 | Move the atom at index 13 towards the atom at index 8 by 2.91 angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveTowardsAtomAction | e1569714-3cc2-421a-a4c0-0eac55ed29a6 | mp-1074916 | Move the atom at index 3 towards the atom at index 7 by 2.564 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... |
MoveTowardsAtomAction | 264e6834-6924-4a6b-9676-31f57178d1bd | mp-1217186 | Move the atom at index 19 towards the atom at index 14 by 2.495 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 5bbd6f01-239f-475c-8639-130f49e41a1c | mp-1197379 | Move the atom at index 16 towards the atom at index 6 by 1.229 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... |
MoveTowardsAtomAction | d5d1e829-aa97-4de1-ae9a-89e1216e529b | mp-699431 | Move the atom at index 6 towards the atom at index 4 by 1.223 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveTowardsAtomAction | dfda12d5-a405-4797-a0fb-575589ad2d50 | mp-1209429 | Move the atom at index 4 towards the atom at index 23 by 1.357 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... |
MoveTowardsAtomAction | 68112e4e-e959-48cb-987e-4ebab4fd4511 | mp-756138 | Move the atom at index 3 towards the atom at index 26 by 0.35 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... |
MoveTowardsAtomAction | b07b4f4d-2438-46ef-ab5e-b062c4dd7fc4 | mp-1220625 | Move the atom at index 3 towards the atom at index 4 by 1.341 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_IT_... | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_IT_... |
MoveTowardsAtomAction | c3a83c13-e965-4be9-be2b-1dbcb474c7da | mp-1219608 | Move the atom at index 7 towards the atom at index 2 by 0.213 angstrom in the cif file. | data_image0
_chemical_formula_structural RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_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 RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
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