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 | 726fa63a-760c-4930-8d74-2c67f065d8d9 | mp-29778 | Move the atom at index 13 towards the atom at index 6 by 0.935 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 | 68ad0c67-4788-4656-8e18-c4707e7a38e6 | mp-762220 | Move the atom at index 43 towards the atom at index 27 by 0.648 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 | 0d0a700d-60a1-41d2-b8a7-5b3d5fd83549 | mp-530303 | Move the atom at index 34 towards the atom at index 9 by 1.418 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... |
MoveTowardsAtomAction | b68b5cd3-c12b-4a22-a9d0-bb3a72559738 | mp-39647 | Move the atom at index 26 towards the atom at index 23 by 2.307 angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Al4FeSi8O26
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096
_spa... | data_image0
_chemical_formula_structural Na6Al4FeSi8O26
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096
_spa... |
MoveTowardsAtomAction | 1bd4c4c4-8965-494d-a3e1-17db103c5684 | mp-1193985 | Move the atom at index 14 towards the atom at index 7 by 2.401 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 69f9cfe1-c7be-4b77-ab4e-0d8f4a58658f | mp-770417 | Move the atom at index 28 towards the atom at index 5 by 1.955 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 | 7fc85c7b-7d78-42dc-836a-46004cb0021c | mp-1037998 | Move the atom at index 51 towards the atom at index 49 by 0.241 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 | 97237f61-9dcd-4ea7-9473-3b672c887506 | mp-678 | Move the atom at index 49 towards the atom at index 21 by 2.931 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... |
MoveTowardsAtomAction | 7396ac80-d757-446c-862c-c54501d4c4e4 | mp-1213937 | Move the atom at index 19 towards the atom at index 38 by 0.235 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... |
MoveTowardsAtomAction | 03113747-a3b8-43d5-b31b-3f3d9f788ce0 | mp-758795 | Move the atom at index 28 towards the atom at index 60 by 2.6 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | db8e7aeb-0c6b-48be-9274-7752df655449 | mp-555583 | Move the atom at index 43 towards the atom at index 39 by 0.151 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn24S24
_chemical_formula_sum "Zn24 S24"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn24S24
_chemical_formula_sum "Zn24 S24"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 96b59d8c-dbd6-440d-9deb-dded31a457cc | mp-1203661 | Move the atom at index 4 towards the atom at index 35 by 1.287 angstrom in the cif file. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... |
MoveTowardsAtomAction | 2d065b11-4def-4f82-b908-be875ad5d28f | mp-554453 | Move the atom at index 39 towards the atom at index 22 by 0.462 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12P12O42
_chemical_formula_sum "Cr12 P12 O42"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736099999... | data_image0
_chemical_formula_structural Cr12P12O42
_chemical_formula_sum "Cr12 P12 O42"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736099999... |
MoveTowardsAtomAction | 62e063ed-78b2-44e0-bf42-6dc529633012 | mp-1095566 | Move the atom at index 7 towards the atom at index 9 by 1.315 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a500fa38-6c3d-4802-a301-7e6d4ccd32ee | mp-769018 | Move the atom at index 28 towards the atom at index 66 by 2.642 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 9237af8d-de68-43b6-95c4-fb630527325d | mp-1247260 | Move the atom at index 16 towards the atom at index 12 by 2.19 angstrom in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 50f75b19-32e2-4723-b169-a936c24817e3 | mp-1194093 | Move the atom at index 5 towards the atom at index 22 by 0.6 angstrom in the cif file. | data_image0
_chemical_formula_structural H16PtC4N2Cl6
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_group_na... | data_image0
_chemical_formula_structural H16PtC4N2Cl6
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_group_na... |
MoveTowardsAtomAction | 39d23bdf-39ee-4545-82bd-d68501594f9d | mp-23390 | Move the atom at index 11 towards the atom at index 12 by 2.939 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Cd4Cl12
_chemical_formula_sum "Rb4 Cd4 Cl12"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_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 Rb4Cd4Cl12
_chemical_formula_sum "Rb4 Cd4 Cl12"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 6aa4264f-3cea-48bd-a70f-f0a809aed6a9 | mp-769928 | Move the atom at index 5 towards the atom at index 11 by 1.961 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... |
MoveTowardsAtomAction | 3cb3582c-b2f4-488f-bdef-16df755ba804 | mp-1027074 | Move the atom at index 0 towards the atom at index 4 by 1.18 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... |
MoveTowardsAtomAction | a5ad73c0-d45c-449b-9a1d-19c28daee09a | mp-30823 | Move the atom at index 6 towards the atom at index 4 by 0.749 angstrom in the cif file. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... |
MoveTowardsAtomAction | 626deac9-1c59-4e70-b540-1442dab5f4a1 | mp-1853 | Move the atom at index 19 towards the atom at index 6 by 1.132 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | dba8276b-5278-49bf-b3e1-60b83c822d6b | mp-636519 | Move the atom at index 5 towards the atom at index 12 by 0.12 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 | 232e61b7-9cb3-47b2-87cc-b88b12728a33 | mp-1217721 | Move the atom at index 2 towards the atom at index 12 by 2.752 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
MoveTowardsAtomAction | 4e33741b-d17a-4c5f-839d-260056849e9e | mp-1016278 | Move the atom at index 11 towards the atom at index 8 by 2.565 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Mg12
_chemical_formula_sum "Ba2 Sr2 Mg12"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_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 Ba2Sr2Mg12
_chemical_formula_sum "Ba2 Sr2 Mg12"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_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 | d73e45e8-219b-4c47-b6d5-f0a4bae62280 | mp-627575 | Move the atom at index 16 towards the atom at index 27 by 0.501 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... |
MoveTowardsAtomAction | 1453a398-0297-4876-8eb2-4b7271feee9b | mp-1045731 | Move the atom at index 41 towards the atom at index 60 by 1.33 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... |
MoveTowardsAtomAction | fc1f9c9d-0b66-45b2-9d72-6aaa60ed82e0 | mp-766011 | Move the atom at index 15 towards the atom at index 10 by 1.461 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... |
MoveTowardsAtomAction | 67eefc01-75a4-4484-b904-8ed789a67407 | mp-557500 | Move the atom at index 2 towards the atom at index 5 by 2.12 angstrom in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... |
MoveTowardsAtomAction | 9029ec40-2ddd-45df-b896-381d8105c6e9 | mp-2229628 | Move the atom at index 15 towards the atom at index 4 by 0.206 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... |
MoveTowardsAtomAction | d32143c2-142f-40f3-8397-a0ae38bd875f | mp-1213937 | Move the atom at index 28 towards the atom at index 10 by 2.143 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... |
MoveTowardsAtomAction | 1f1f967d-041a-4e4b-aeba-498fbf704f99 | mp-755986 | Move the atom at index 13 towards the atom at index 0 by 1.571 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Cr6O16
_chemical_formula_sum "Li4 Nb2 Cr6 O16"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999
_spa... | data_image0
_chemical_formula_structural Li4Nb2Cr6O16
_chemical_formula_sum "Li4 Nb2 Cr6 O16"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999
_spa... |
MoveTowardsAtomAction | 4aa35d86-6f1a-4e86-9587-439c67dfe00d | mp-2223616 | Move the atom at index 2 towards the atom at index 6 by 0.657 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... |
MoveTowardsAtomAction | ad09b6c6-052c-46e8-ab4c-dd517050e0ff | mp-1095566 | Move the atom at index 8 towards the atom at index 3 by 1.063 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a937b477-c2cf-48ed-b235-c65ad6e43fb2 | mp-557006 | Move the atom at index 30 towards the atom at index 7 by 2.854 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... |
MoveTowardsAtomAction | ef23c3dc-0f4a-45b8-9a75-57b2fc04de90 | mp-1233200 | Move the atom at index 12 towards the atom at index 7 by 1.358 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... |
MoveTowardsAtomAction | 306e52c5-06f3-457f-a11f-ec1df078fcc7 | mp-1233358 | Move the atom at index 11 towards the atom at index 1 by 0.14 angstrom in the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... |
MoveTowardsAtomAction | ce43b309-7323-44fc-8c23-d27ae9c8a371 | mp-1289597 | Move the atom at index 13 towards the atom at index 4 by 1.478 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... |
MoveTowardsAtomAction | 1ed5980e-64d0-433c-a604-ffb650df5fda | mp-17822 | Move the atom at index 10 towards the atom at index 27 by 2.152 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
MoveTowardsAtomAction | ec96e1dd-e397-4292-8f6d-aa2d163c6c7e | mp-1238837 | Move the atom at index 24 towards the atom at index 13 by 2.246 angstrom in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
MoveTowardsAtomAction | 3e3cbd4b-4dcf-4e73-88ce-629463729d74 | mp-557589 | Move the atom at index 53 towards the atom at index 13 by 0.756 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | abd6be47-6abb-4bdf-bb18-e45494926df5 | mp-1236223 | Move the atom at index 3 towards the atom at index 10 by 2.911 angstrom in the cif file. | data_image0
_chemical_formula_structural K4LiC2O6
_chemical_formula_sum "K4 Li1 C2 O6"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K4LiC2O6
_chemical_formula_sum "K4 Li1 C2 O6"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_H-M_al... |
MoveTowardsAtomAction | cf22e675-55d4-406a-9e99-ed8fc0beedd3 | mp-1209288 | Move the atom at index 2 towards the atom at index 7 by 1.972 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 | e2fc8998-5a9e-4c15-8f3c-8c2467a6a6a8 | mp-1232387 | Move the atom at index 21 towards the atom at index 6 by 2.58 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 | 8e87f952-5ce1-4bf0-9a66-00f4fb4b2c78 | mp-1205713 | Move the atom at index 3 towards the atom at index 2 by 1.624 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
MoveTowardsAtomAction | 75f22025-6c17-40d0-bdc7-d1c6900fe5a0 | mp-780430 | Move the atom at index 34 towards the atom at index 13 by 1.181 angstrom in the cif file. | data_image0
_chemical_formula_structural V2Fe4P6O24
_chemical_formula_sum "V2 Fe4 P6 O24"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.69572487
_sp... | data_image0
_chemical_formula_structural V2Fe4P6O24
_chemical_formula_sum "V2 Fe4 P6 O24"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.69572487
_sp... |
MoveTowardsAtomAction | a2a01a8e-e746-4e52-a229-d34748a1edc9 | mp-1354855 | Move the atom at index 23 towards the atom at index 7 by 0.911 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... |
MoveTowardsAtomAction | 908592c4-2b84-47b0-a140-c5fa64f1ed1a | mp-851096 | Move the atom at index 24 towards the atom at index 49 by 1.731 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Cr19O48
_chemical_formula_sum "Li9 Cr19 O48"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space_gro... | data_image0
_chemical_formula_structural Li9Cr19O48
_chemical_formula_sum "Li9 Cr19 O48"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space_gro... |
MoveTowardsAtomAction | d3557844-b011-404d-819f-f3fd5ad9a421 | mp-756284 | Move the atom at index 4 towards the atom at index 18 by 2.124 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... |
MoveTowardsAtomAction | 232a5184-b520-461b-b8b8-366d70cc72f2 | mp-1208177 | Move the atom at index 7 towards the atom at index 1 by 0.692 angstrom in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
MoveTowardsAtomAction | 71a53be3-46c9-4ab1-863e-2defcba7527c | mp-1376600 | Move the atom at index 9 towards the atom at index 7 by 1.528 angstrom in the cif file. | data_image0
_chemical_formula_structural V4S10
_chemical_formula_sum "V4 S10"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_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_num... | data_image0
_chemical_formula_structural V4S10
_chemical_formula_sum "V4 S10"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_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_num... |
MoveTowardsAtomAction | e1651eff-cb58-4477-a722-f1d0ff2cdfcd | mp-1214069 | Move the atom at index 34 towards the atom at index 20 by 2.529 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984140000... | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984140000... |
MoveTowardsAtomAction | 074400ba-1b53-43a0-b273-ef131ce322d7 | mp-1221221 | Move the atom at index 48 towards the atom at index 7 by 0.419 angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Zn6As6O32
_chemical_formula_sum "Na6 Zn6 As6 O32"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984
_spa... | data_image0
_chemical_formula_structural Na6Zn6As6O32
_chemical_formula_sum "Na6 Zn6 As6 O32"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984
_spa... |
MoveTowardsAtomAction | 2f41c2f8-fcb3-44aa-b526-b934aa3715f7 | mp-766386 | Move the atom at index 41 towards the atom at index 17 by 1.181 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 | 9840c258-102d-44ff-9309-97a0b5cb255b | mp-757370 | Move the atom at index 15 towards the atom at index 28 by 2.872 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... |
MoveTowardsAtomAction | 027e71e9-0656-46a0-a90a-c5f6f0d76feb | mp-1331651 | Move the atom at index 1 towards the atom at index 24 by 1.09 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... |
MoveTowardsAtomAction | b5e81ac6-15d7-433d-a25d-8a3b4e240356 | mp-542493 | Move the atom at index 29 towards the atom at index 10 by 0.449 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... |
MoveTowardsAtomAction | 4a26fce2-87b1-4053-b4ec-e96ec89c126b | mp-1105068 | Move the atom at index 11 towards the atom at index 4 by 2.827 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 | 94795919-1e3f-41ab-be91-a25d85cb0282 | mp-568863 | Move the atom at index 24 towards the atom at index 15 by 2.805 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
MoveTowardsAtomAction | 49d1d2a5-b8d7-4f8b-99a0-11208045a006 | mp-849289 | Move the atom at index 20 towards the atom at index 54 by 2.588 angstrom in the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 058ef392-f63b-4951-a6d6-b4b47bbb4d3d | mp-1190379 | Move the atom at index 3 towards the atom at index 17 by 0.777 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Se4O16
_chemical_formula_sum "Ca4 Se4 O16"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Se4O16
_chemical_formula_sum "Ca4 Se4 O16"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 8abfb33a-4363-4adb-b135-1e2a5bbd2c0d | mp-1234352 | Move the atom at index 24 towards the atom at index 5 by 2.576 angstrom in the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.797892... | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.797892... |
MoveTowardsAtomAction | 8e3fa346-4953-4155-937b-c43cf5edef16 | mp-558119 | Move the atom at index 68 towards the atom at index 22 by 1.073 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 90801fc6-bc34-401a-b5d7-50c78f91d73e | mp-1388601 | Move the atom at index 11 towards the atom at index 5 by 0.407 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4Se2O8
_chemical_formula_sum "Tl4 Se2 O8"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_space_... | data_image0
_chemical_formula_structural Tl4Se2O8
_chemical_formula_sum "Tl4 Se2 O8"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_space_... |
MoveTowardsAtomAction | 9f322892-604f-44ac-9030-8600ba6e3b3c | mp-1246769 | Move the atom at index 0 towards the atom at index 11 by 2.979 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8
_chemical_formula_sum "Mg2 Mn2 Mo2 S8"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8
_chemical_formula_sum "Mg2 Mn2 Mo2 S8"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma ... |
MoveTowardsAtomAction | 3afd5059-a061-4f30-88f5-57e77a371782 | mp-1193804 | Move the atom at index 5 towards the atom at index 9 by 2.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 | 4fe680b9-ff07-438c-b818-2bc4c307e56f | mp-1176004 | Move the atom at index 25 towards the atom at index 23 by 2.088 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
_spa... |
MoveTowardsAtomAction | cc502c6c-9dbe-4e41-8bc8-22ed4acb76b3 | mp-1205001 | Move the atom at index 62 towards the atom at index 31 by 1.389 angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 | f0f31030-94a8-4e42-a29d-eb20e20a9bad | mp-1521867 | Move the atom at index 8 towards the atom at index 2 by 1.217 angstrom in the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
MoveTowardsAtomAction | 152a88b2-b94e-4f0e-8547-f0cd07272b7f | mp-1041713 | Move the atom at index 4 towards the atom at index 7 by 1.83 angstrom in the cif file. | data_image0
_chemical_formula_structural AlCrW2O8
_chemical_formula_sum "Al1 Cr1 W2 O8"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_name_H-... | data_image0
_chemical_formula_structural AlCrW2O8
_chemical_formula_sum "Al1 Cr1 W2 O8"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_name_H-... |
MoveTowardsAtomAction | 6937aa39-1492-4836-961f-d51f70452d1d | mp-1191389 | Move the atom at index 17 towards the atom at index 7 by 2.672 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... |
MoveTowardsAtomAction | a4fbd2a2-413d-4d6f-951a-c9faaafbf7a7 | mp-766954 | Move the atom at index 9 towards the atom at index 2 by 1.003 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 18dc2136-a7e1-4007-b8a9-b84f7dd3684f | mp-1191029 | Move the atom at index 7 towards the atom at index 12 by 2.202 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4C4O16
_chemical_formula_sum "Pr4 C4 O16"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_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 Pr4C4O16
_chemical_formula_sum "Pr4 C4 O16"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_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 | 5794be29-6bb6-42f2-98aa-d536da1023f3 | mp-699405 | Move the atom at index 57 towards the atom at index 55 by 1.939 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... |
MoveTowardsAtomAction | e7d0bfa2-26d3-45eb-882b-68127ebb2661 | mp-1079659 | Move the atom at index 1 towards the atom at index 4 by 2.201 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveTowardsAtomAction | 63ea2bb8-3982-4d24-9c0f-b4bc449943db | mp-1193985 | Move the atom at index 8 towards the atom at index 11 by 2.204 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 72e8f1b9-d01b-4c23-be5a-7ea112e33c91 | mp-1043418 | Move the atom at index 17 towards the atom at index 1 by 1.121 angstrom in the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 13282bc1-e828-45cf-a476-a5f8c02b80e4 | mp-1095216 | Move the atom at index 4 towards the atom at index 8 by 0.391 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... |
MoveTowardsAtomAction | 84fa3653-449f-4e09-9748-d234d5dc7c42 | mp-1046171 | Move the atom at index 19 towards the atom at index 3 by 2.898 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32
_chemical_formula_sum "Ca8 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.69853... | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32
_chemical_formula_sum "Ca8 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.69853... |
MoveTowardsAtomAction | 8483caeb-8944-42e6-93ac-f23c35d3d0e5 | mp-28950 | Move the atom at index 15 towards the atom at index 20 by 2.152 angstrom in the cif file. | data_image0
_chemical_formula_structural P8N12O2
_chemical_formula_sum "P8 N12 O2"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_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 P8N12O2
_chemical_formula_sum "P8 N12 O2"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_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 | f773cc60-719a-480e-99a9-fe4834476b3a | mp-849387 | Move the atom at index 4 towards the atom at index 5 by 1.719 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... |
MoveTowardsAtomAction | 59d4d137-0822-4744-a279-59ae289b79b3 | mp-1386638 | Move the atom at index 5 towards the atom at index 18 by 2.486 angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
MoveTowardsAtomAction | 6094afff-6d8e-4111-81e0-129753842862 | mp-1112428 | Move the atom at index 4 towards the atom at index 0 by 2.092 angstrom in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... |
MoveTowardsAtomAction | dcc4224a-2892-4b12-b5c7-a4b61b02f446 | mp-1026680 | Move the atom at index 1 towards the atom at index 11 by 0.527 angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg14Cr
_chemical_formula_sum "Na1 Mg14 Cr1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaMg14Cr
_chemical_formula_sum "Na1 Mg14 Cr1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 4586d53d-c3b4-4c78-85b8-2ef2cbe69e1e | mp-732227 | Move the atom at index 33 towards the atom at index 28 by 1.997 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 24c72027-c6df-4178-a512-23f7903277a7 | mp-1034797 | Move the atom at index 18 towards the atom at index 23 by 1.86 angstrom in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 | 2d840d83-a2db-4e39-baa9-fa9afc050255 | mp-1101792 | Move the atom at index 7 towards the atom at index 1 by 2.192 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Mg8
_chemical_formula_sum "Eu4 Mg8"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Eu4Mg8
_chemical_formula_sum "Eu4 Mg8"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 6327209f-375f-4744-a28b-091d85550c63 | mp-1195405 | Move the atom at index 18 towards the atom at index 9 by 1.327 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 3e7f3ca6-ef4d-4ebe-85d6-89ef27a6cc11 | mp-767412 | Move the atom at index 8 towards the atom at index 14 by 2.48 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... |
MoveTowardsAtomAction | 3e24a69d-49ff-4f43-88d6-aae1d8ce5a69 | mp-1208738 | Move the atom at index 18 towards the atom at index 11 by 0.284 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
MoveTowardsAtomAction | ff2f1cac-609d-4a94-9acc-e743540d6490 | mp-1080201 | Move the atom at index 25 towards the atom at index 26 by 2.474 angstrom in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 | 37ea926d-f15a-42ed-bec7-f5ddae5fefb7 | mp-1228475 | Move the atom at index 36 towards the atom at index 38 by 2.234 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 | 6e2f4a2c-bf1b-4dc0-ad56-1900d03f1f62 | mp-25284 | Move the atom at index 2 towards the atom at index 18 by 2.655 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... |
MoveTowardsAtomAction | 5bb78dd1-012d-492f-8afe-aac09699153c | mp-2233356 | Move the atom at index 10 towards the atom at index 5 by 1.972 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... |
MoveTowardsAtomAction | 0eef81bc-a1f5-4b8f-8d10-67042d82f861 | mp-1204342 | Move the atom at index 21 towards the atom at index 10 by 1.61 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
MoveTowardsAtomAction | d2058efc-8085-446d-8d4b-2095a6dd86da | mp-1178408 | Move the atom at index 20 towards the atom at index 19 by 2.862 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 26c88a8d-9203-4607-8485-a3ce4e92e681 | mp-732227 | Move the atom at index 14 towards the atom at index 26 by 1.104 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 209bcbec-d69b-49e5-bb40-d07955907f85 | mp-1204213 | Move the atom at index 56 towards the atom at index 45 by 2.929 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 | 953a79a5-76aa-4a01-9c45-407c2ab5a33f | mp-1047596 | Move the atom at index 6 towards the atom at index 7 by 0.564 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | 2721c9c7-b51e-411b-b4d9-1b6a3bb25c3d | mp-850196 | Move the atom at index 14 towards the atom at index 10 by 2.391 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... |
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