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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | 8cbd02cc-b56f-46e5-a499-1635e0d9bb49 | mp-780431 | Move all surrounding atoms within 2.955 angstrom around the center atom at index 28 by [-2.081 1.379 0.814] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 29cf7229-f79d-4cba-9ee9-802b2a29e0d9 | mp-1225649 | Move all surrounding atoms within 3.613 angstrom around the center atom at index 4 by [ 0.365 -2.18 -2.98 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... |
MoveAroundAtomAction | e0e6a806-213a-478d-a578-c821d8a9f6ab | mp-1306670 | Move all surrounding atoms within 3.465 angstrom around the center atom at index 27 by [-0.372 0.159 -0.87 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... |
MoveAroundAtomAction | 21eead79-3eb0-44a8-ae84-dd2e54147252 | mp-1027965 | Move all surrounding atoms within 3.723 angstrom around the center atom at index 8 by [ 1.513 -0.29 -3.094] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 14f6fcf0-0a0b-4754-ae4a-1e6fe9a28b42 | mp-29778 | Move all surrounding atoms within 2.714 angstrom around the center atom at index 21 by [-0.897 -0.074 -0.897] 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 ... |
MoveAroundAtomAction | be925f6f-6f0d-49dd-b6c5-0bbe6caabde6 | mp-762220 | Move all surrounding atoms within 3.825 angstrom around the center atom at index 35 by [-1.595 -2.171 -1.196] 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... |
MoveAroundAtomAction | f1e707a6-ec90-4cab-8e70-e15549b4bcf8 | mp-530303 | Move all surrounding atoms within 3.331 angstrom around the center atom at index 0 by [ 0.901 -0.451 -0.106] 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
_... |
MoveAroundAtomAction | ed89ac4d-0053-4101-bf86-70703aed8d7b | mp-39647 | Move all surrounding atoms within 2.725 angstrom around the center atom at index 39 by [-0.561 -1.443 1.224] 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... |
MoveAroundAtomAction | 8ff41153-9ffc-4951-8001-922a497be75b | mp-1193985 | Move all surrounding atoms within 3.815 angstrom around the center atom at index 5 by [1.125 2.398 2.53 ] 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
... |
MoveAroundAtomAction | 0c15c7e5-b50e-4ab1-b153-8db61bb47db1 | mp-770417 | Move all surrounding atoms within 2.459 angstrom around the center atom at index 10 by [-2.469 0.057 -0.275] 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... |
MoveAroundAtomAction | 1a61a2c3-8e65-45d8-8fe4-fbe43278cb54 | mp-1037998 | Move all surrounding atoms within 2.335 angstrom around the center atom at index 34 by [-0.452 -3.018 1.696] 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... |
MoveAroundAtomAction | 2606b545-8172-4ee1-b9ff-0ed3453344ce | mp-678 | Move all surrounding atoms within 3.758 angstrom around the center atom at index 65 by [-0.558 -3.647 -0.912] 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... |
MoveAroundAtomAction | 55ec81c4-bc5e-4ef8-a088-4fd7f26263ba | mp-1213937 | Move all surrounding atoms within 2.534 angstrom around the center atom at index 3 by [-0.303 -0.563 -2.701] 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_... |
MoveAroundAtomAction | dc1a5e37-47e4-4617-9c23-588d1d101678 | mp-758795 | Move all surrounding atoms within 1.662 angstrom around the center atom at index 29 by [ 0.22 -3.131 -2.268] 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 ... |
MoveAroundAtomAction | e4178e68-8525-442a-9ce1-c138dca507a1 | mp-555583 | Move all surrounding atoms within 3.798 angstrom around the center atom at index 39 by [ 0.516 -0.378 -1.576] 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"
_... |
MoveAroundAtomAction | 9ce40813-f132-459f-bbfc-d0919187cee5 | mp-1203661 | Move all surrounding atoms within 3.487 angstrom around the center atom at index 14 by [-3.752 -1.174 0.02 ] 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... |
MoveAroundAtomAction | 04bd6d3b-63ca-4a5d-ae9c-dde16e2b62f0 | mp-554453 | Move all surrounding atoms within 2.272 angstrom around the center atom at index 26 by [-3.502 -1.338 0.509] 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... |
MoveAroundAtomAction | 66fe870c-8860-45dc-94fd-9b6bc9ed5f30 | mp-1095566 | Move all surrounding atoms within 3.029 angstrom around the center atom at index 4 by [ 3.88 -4.561 0.174] 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 ... |
MoveAroundAtomAction | 0747eb75-ae0a-4c80-851f-d1c2dbf5f6d0 | mp-769018 | Move all surrounding atoms within 2.411 angstrom around the center atom at index 9 by [3.486 0.755 2.91 ] 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_... |
MoveAroundAtomAction | 34469b1a-952b-412d-bdb6-f8adde0c734c | mp-1247260 | Move all surrounding atoms within 2.131 angstrom around the center atom at index 14 by [ 0.937 -3.126 1.553] 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"... |
MoveAroundAtomAction | 6f15cca1-5f5d-4a65-884b-ce5a63d380f6 | mp-1194093 | Move all surrounding atoms within 2.565 angstrom around the center atom at index 5 by [ 2.387 -0.641 1.457] 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... |
MoveAroundAtomAction | 5ceaa627-3a5b-4d51-a0ae-a4d26ebc98c1 | mp-23390 | Move all surrounding atoms within 3.712 angstrom around the center atom at index 3 by [ 0.105 -3.646 -2.439] 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"
_... |
MoveAroundAtomAction | d06c3ecd-cbee-4f38-9466-775b87ff9eb2 | mp-769928 | Move all surrounding atoms within 3.5 angstrom around the center atom at index 11 by [-0.582 -3.228 3.14 ] 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... |
MoveAroundAtomAction | f7a5bd02-f997-4e6d-9dc8-5ed6669b1a33 | mp-1027074 | Move all surrounding atoms within 3.491 angstrom around the center atom at index 6 by [ 0.904 -1.69 -1.082] 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... |
MoveAroundAtomAction | ea7eb6f7-588c-43f4-ad94-3ac039fd32b6 | mp-30823 | Move all surrounding atoms within 3.094 angstrom around the center atom at index 14 by [ 1.449 -1.018 -2.072] 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_... |
MoveAroundAtomAction | 73be4c7e-d5da-467d-b9a6-ba64a110f978 | mp-1853 | Move all surrounding atoms within 2.415 angstrom around the center atom at index 31 by [-1.633 -0.778 -1.123] 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... |
MoveAroundAtomAction | 522f5b70-00af-45da-af4e-863e517058ae | mp-636519 | Move all surrounding atoms within 2.721 angstrom around the center atom at index 9 by [0.691 0.488 0.978] 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_... |
MoveAroundAtomAction | 12212938-189b-485e-a40c-1f4558c1dc48 | mp-1217721 | Move all surrounding atoms within 3.137 angstrom around the center atom at index 4 by [-2.012 1.004 -1.37 ] 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... |
MoveAroundAtomAction | 33dc7dbf-498a-4ef9-a501-a9cb278d4397 | mp-1016278 | Move all surrounding atoms within 3.616 angstrom around the center atom at index 14 by [ 0.498 -3.479 1.207] 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_... |
MoveAroundAtomAction | 026a3b87-808f-4ca8-838b-c6e5b6c9b860 | mp-627575 | Move all surrounding atoms within 3.476 angstrom around the center atom at index 14 by [ 4.224 1.798 -0.589] 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... |
MoveAroundAtomAction | 0d33b0ac-3011-4510-a20b-2760e8db0aa8 | mp-1045731 | Move all surrounding atoms within 2.403 angstrom around the center atom at index 86 by [ 2.305 1.37 -0.415] 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 ... |
MoveAroundAtomAction | 1f8a8ba8-d6ac-403f-be22-ea7913a71bcf | mp-766011 | Move all surrounding atoms within 2.063 angstrom around the center atom at index 2 by [ 3.753 -0.603 -0.694] 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.... |
MoveAroundAtomAction | 3800db79-be5d-44c8-97fe-60441f1fa400 | mp-557500 | Move all surrounding atoms within 3.173 angstrom around the center atom at index 8 by [-0.029 0.637 -1.364] 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... |
MoveAroundAtomAction | fba401a8-a3eb-4a24-a1ec-c6a7a35b89ac | mp-2229628 | Move all surrounding atoms within 2.976 angstrom around the center atom at index 0 by [ 3.56 4.189 -1.227] 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... |
MoveAroundAtomAction | b304b4e8-17f9-40d9-b0f6-c7886041c332 | mp-1213937 | Move all surrounding atoms within 3.397 angstrom around the center atom at index 2 by [ 1.422 -0.607 -2.029] 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_... |
MoveAroundAtomAction | c343ea44-2137-4477-9c92-07f6b3ddb6ec | mp-755986 | Move all surrounding atoms within 2.497 angstrom around the center atom at index 26 by [-3.945 0.274 -5.088] 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... |
MoveAroundAtomAction | 41a6883e-c099-4a06-96cb-46dffe97c298 | mp-2223616 | Move all surrounding atoms within 3.391 angstrom around the center atom at index 7 by [-0.405 -0.003 -2.443] 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... |
MoveAroundAtomAction | 3d10d223-9f70-4e37-aef3-b8420b26e2ce | mp-1095566 | Move all surrounding atoms within 3.279 angstrom around the center atom at index 11 by [ 5.004 -3.018 1.912] 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 ... |
MoveAroundAtomAction | 4e2947c5-ec6a-465e-bd0f-384c4506478f | mp-557006 | Move all surrounding atoms within 3.286 angstrom around the center atom at index 8 by [-0.113 1.514 -3.922] 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_... |
MoveAroundAtomAction | a3ba70bb-5c91-4636-9155-89d29ed13262 | mp-1233200 | Move all surrounding atoms within 2.682 angstrom around the center atom at index 3 by [-5.008 -1.048 -1.187] 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... |
MoveAroundAtomAction | 519a5c4e-2277-4f3b-8896-a1e8db904db5 | mp-1233358 | Move all surrounding atoms within 3.403 angstrom around the center atom at index 1 by [-0.84 -2.784 1.096] 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... |
MoveAroundAtomAction | 254633ba-993d-4c9d-8fd5-3c89d828dfe8 | mp-1289597 | Move all surrounding atoms within 2.358 angstrom around the center atom at index 2 by [1.206 1.383 4.927] 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_... |
MoveAroundAtomAction | e2ff0776-4384-4651-a455-14c5b1728109 | mp-17822 | Move all surrounding atoms within 3.706 angstrom around the center atom at index 4 by [-2.786 -0.887 2.074] 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... |
MoveAroundAtomAction | b6f8be9b-df62-49e7-9d99-fcf2ffbb4e9a | mp-1238837 | Move all surrounding atoms within 1.43 angstrom around the center atom at index 25 by [-0.318 2.55 -0.178] 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... |
MoveAroundAtomAction | 33094f3a-9ee4-4cf7-8c17-7e6d1464a028 | mp-557589 | Move all surrounding atoms within 3.829 angstrom around the center atom at index 0 by [-2.159 0.308 1.128] 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"
_... |
MoveAroundAtomAction | 730219b2-44b3-42ad-847a-e7b0713a0568 | mp-1236223 | Move all surrounding atoms within 1.365 angstrom around the center atom at index 7 by [2.289 2.986 0.756] 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... |
MoveAroundAtomAction | 3c3ddc6d-dbd1-46a3-88fb-ace84712a4b9 | mp-1209288 | Move all surrounding atoms within 3.519 angstrom around the center atom at index 0 by [-2.106 -1.022 1.178] 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... |
MoveAroundAtomAction | 09708a67-7f8b-4ef9-b23e-45459e2f039b | mp-1232387 | Move all surrounding atoms within 2.936 angstrom around the center atom at index 0 by [ 0.878 -0.411 -1.412] 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... |
MoveAroundAtomAction | ad5a9412-f4cd-4c1f-9afa-d648151c4cf0 | mp-1205713 | Move all surrounding atoms within 3.345 angstrom around the center atom at index 2 by [-0.207 -1.794 0.942] 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... |
MoveAroundAtomAction | d7f6659b-c0fb-448f-a9de-a6ab4f985977 | mp-780430 | Move all surrounding atoms within 2.324 angstrom around the center atom at index 6 by [-2.764 0.299 -0.768] 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... |
MoveAroundAtomAction | cab8bde8-3326-42ce-b229-0077ee3ff6d8 | mp-1354855 | Move all surrounding atoms within 3.939 angstrom around the center atom at index 9 by [-0.054 0.28 -1.874] 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
_... |
MoveAroundAtomAction | 07049495-d25d-4c48-bba3-9799c6f8273e | mp-851096 | Move all surrounding atoms within 3.627 angstrom around the center atom at index 9 by [-0.804 -3.221 -0.519] 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... |
MoveAroundAtomAction | d0a692af-baee-470a-bd42-c42ff67620ce | mp-756284 | Move all surrounding atoms within 2.568 angstrom around the center atom at index 21 by [ 3.446 -0.928 0.312] 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... |
MoveAroundAtomAction | 64d318f2-26bf-468e-810d-d9ae77a6db9f | mp-1208177 | Move all surrounding atoms within 3.966 angstrom around the center atom at index 7 by [-2.498 -2.908 0.615] 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... |
MoveAroundAtomAction | f1bebb6b-96e6-42c1-a78d-e7e9f75cc8e2 | mp-1376600 | Move all surrounding atoms within 3.117 angstrom around the center atom at index 1 by [-0.974 -2.162 2.791] 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... |
MoveAroundAtomAction | 4800ff95-fce4-41b2-9101-86f7c175b56e | mp-1214069 | Move all surrounding atoms within 1.646 angstrom around the center atom at index 31 by [ 3.306 -0.137 1.272] 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... |
MoveAroundAtomAction | ddaea331-faa7-4d87-8e9e-7de559228f98 | mp-1221221 | Move all surrounding atoms within 2.832 angstrom around the center atom at index 33 by [ 0.013 2.334 -1.681] 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... |
MoveAroundAtomAction | df937c41-ad76-471a-b2ae-a7fdc4774be5 | mp-766386 | Move all surrounding atoms within 1.905 angstrom around the center atom at index 26 by [-0.528 -1.372 -0.816] 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... |
MoveAroundAtomAction | b9eb0264-ae72-4a6f-9f1d-904cb0ce2a72 | mp-757370 | Move all surrounding atoms within 2.832 angstrom around the center atom at index 3 by [ 1.194 1.703 -0.054] 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... |
MoveAroundAtomAction | dd345486-3c1f-4ccc-89eb-be9b074122a1 | mp-1331651 | Move all surrounding atoms within 2.397 angstrom around the center atom at index 11 by [ 2.107 4.299 -0.144] 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... |
MoveAroundAtomAction | 4bc48471-0009-4119-bad9-236f01e84201 | mp-542493 | Move all surrounding atoms within 2.995 angstrom around the center atom at index 4 by [-2.17 -1.395 -1.456] 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... |
MoveAroundAtomAction | 430f7928-6032-4838-bef2-20586d7e8209 | mp-1105068 | Move all surrounding atoms within 3.25 angstrom around the center atom at index 6 by [ 2.621 3.032 -1.46 ] 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... |
MoveAroundAtomAction | 8f49828d-0199-46dc-9d86-f03a848f55ec | mp-568863 | Move all surrounding atoms within 2.515 angstrom around the center atom at index 31 by [ 2.219 0.914 -3.401] 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... |
MoveAroundAtomAction | ff636196-14b7-4181-947a-49cf7a9ded7e | mp-849289 | Move all surrounding atoms within 2.078 angstrom around the center atom at index 38 by [-1.328 -1.434 -3.039] 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... |
MoveAroundAtomAction | 277c5094-30e7-460d-9d77-72fb5dc248f0 | mp-1190379 | Move all surrounding atoms within 1.855 angstrom around the center atom at index 23 by [ 2.161 -1.94 1.957] 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... |
MoveAroundAtomAction | cceaf3b9-91dd-44fc-b48c-6fae2cd198ab | mp-1234352 | Move all surrounding atoms within 3.715 angstrom around the center atom at index 29 by [-1.163 1.794 -3.448] 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... |
MoveAroundAtomAction | 32b7a393-f29f-4498-ab63-62eeede8225a | mp-558119 | Move all surrounding atoms within 2.21 angstrom around the center atom at index 6 by [-0.288 2.166 3.249] 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 ... |
MoveAroundAtomAction | a7f64965-5d91-463b-a654-d71ae841a7eb | mp-1388601 | Move all surrounding atoms within 2.907 angstrom around the center atom at index 5 by [ 2.594 -1.43 0.516] 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_... |
MoveAroundAtomAction | 7fe58727-40f2-470d-81d4-468e3f8840fd | mp-1246769 | Move all surrounding atoms within 3.241 angstrom around the center atom at index 8 by [ 1.748 0.9 -1.439] 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 ... |
MoveAroundAtomAction | 6da81fdd-66b2-4733-94fe-9815100b459e | mp-1193804 | Move all surrounding atoms within 3.137 angstrom around the center atom at index 2 by [-1.454 0.109 -1.989] 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_... |
MoveAroundAtomAction | aeb2c0a6-e964-4e76-b66d-2b36a645692e | mp-1176004 | Move all surrounding atoms within 3.248 angstrom around the center atom at index 3 by [-1.298 -2.732 0.552] 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... |
MoveAroundAtomAction | a08dc489-73f2-4708-afdd-66e2c65883e2 | mp-1205001 | Move all surrounding atoms within 2.157 angstrom around the center atom at index 57 by [-0.78 -1.653 1.042] 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... |
MoveAroundAtomAction | b834b8bb-2451-4b20-b352-61c4d5e9b78b | mp-1521867 | Move all surrounding atoms within 2.338 angstrom around the center atom at index 5 by [-2.308 3.2 1.629] 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... |
MoveAroundAtomAction | e8ece4aa-d77e-4034-ba19-bf77b5a602cc | mp-1041713 | Move all surrounding atoms within 3.593 angstrom around the center atom at index 2 by [ 0.046 -0.554 0.814] 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-... |
MoveAroundAtomAction | 33685810-f983-40bc-a123-4672af2ea78f | mp-1191389 | Move all surrounding atoms within 2.595 angstrom around the center atom at index 1 by [-0.624 -0.359 0.637] 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... |
MoveAroundAtomAction | 30d3b8e0-e3c1-43d2-8fc9-089ad4df513d | mp-766954 | Move all surrounding atoms within 2.61 angstrom around the center atom at index 8 by [ 0.423 1.324 -0.827] 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... |
MoveAroundAtomAction | bdd17e2b-fc9a-4ee8-b3ba-82356d7fc060 | mp-1191029 | Move all surrounding atoms within 3.025 angstrom around the center atom at index 12 by [ 1.605 2.168 -1.841] 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... |
MoveAroundAtomAction | a16323d6-f8d6-464c-ba14-18b5ef486b32 | mp-699405 | Move all surrounding atoms within 3.756 angstrom around the center atom at index 1 by [-2.149 0.959 -0.099] 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... |
MoveAroundAtomAction | 1e841f66-4529-4616-9f89-f2930ce5c3fc | mp-1079659 | Move all surrounding atoms within 3.781 angstrom around the center atom at index 0 by [-2.504 -0.226 -0.879] 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... |
MoveAroundAtomAction | e23dac7e-f96c-41c0-806d-9b869092df3d | mp-1193985 | Move all surrounding atoms within 3.174 angstrom around the center atom at index 22 by [ 0.24 -0.521 1.498] 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
... |
MoveAroundAtomAction | a93868a9-0262-422b-9b3d-d62e98ffb63c | mp-1043418 | Move all surrounding atoms within 3.362 angstrom around the center atom at index 4 by [ 2.23 -4.07 -0.089] 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... |
MoveAroundAtomAction | 5901172f-9e7b-421c-b161-83410617ae8c | mp-1095216 | Move all surrounding atoms within 1.869 angstrom around the center atom at index 2 by [-0.314 1.142 -1.625] 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... |
MoveAroundAtomAction | 59d133bb-b61d-44a0-beaf-ab51770bdc09 | mp-1046171 | Move all surrounding atoms within 2.423 angstrom around the center atom at index 17 by [-0.494 1.742 -1.005] 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... |
MoveAroundAtomAction | 90562e16-9d47-44ec-b3a3-86245f3f91fa | mp-28950 | Move all surrounding atoms within 2.686 angstrom around the center atom at index 14 by [2.259 2.852 1.246] 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... |
MoveAroundAtomAction | b8cbd258-60b4-4ba6-a8d1-deeca4f1edc1 | mp-849387 | Move all surrounding atoms within 2.971 angstrom around the center atom at index 4 by [ 0.413 -2.781 2.998] 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... |
MoveAroundAtomAction | 7bd8706a-1349-49ed-bd6f-f540b38e8b96 | mp-1386638 | Move all surrounding atoms within 3.33 angstrom around the center atom at index 13 by [-0.034 0.463 -2.474] 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_... |
MoveAroundAtomAction | e97bf391-1dad-48e1-960d-98de4eaee0a3 | mp-1112428 | Move all surrounding atoms within 3.401 angstrom around the center atom at index 8 by [ 0.981 -2.185 1.444] 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... |
MoveAroundAtomAction | a7cc2536-8c88-49bc-b8b2-e6fde2147515 | mp-1026680 | Move all surrounding atoms within 3.342 angstrom around the center atom at index 13 by [-1.113 0.427 -2.554] 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 "... |
MoveAroundAtomAction | 4ea10e9e-f1dd-46d4-8d8f-5343d29a05db | mp-732227 | Move all surrounding atoms within 2.893 angstrom around the center atom at index 2 by [ 0.394 -2.538 3.097] 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 ... |
MoveAroundAtomAction | afc0d2b0-6685-4850-8b03-3e4e6d59fd53 | mp-1034797 | Move all surrounding atoms within 3.382 angstrom around the center atom at index 20 by [-2.406 -1.702 -2.371] 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... |
MoveAroundAtomAction | f625f52e-242d-49e9-a48c-a93a66707b1d | mp-1101792 | Move all surrounding atoms within 3.374 angstrom around the center atom at index 8 by [ 1.387 -3.544 1.068] 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... |
MoveAroundAtomAction | 6793862c-18c3-419c-b623-3046b58e3422 | mp-1195405 | Move all surrounding atoms within 3.2 angstrom around the center atom at index 16 by [ 0.852 -1.166 -0.006] 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"
... |
MoveAroundAtomAction | cc3c1d9e-0f6e-465b-8c5e-a530d44181fb | mp-767412 | Move all surrounding atoms within 3.576 angstrom around the center atom at index 1 by [ 4.641 -1.15 -4.694] 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_... |
MoveAroundAtomAction | 1eaca99b-30be-4193-89b4-bf12565bc163 | mp-1208738 | Move all surrounding atoms within 3.564 angstrom around the center atom at index 9 by [-1.116 -1.398 1.47 ] 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... |
MoveAroundAtomAction | d501575b-dd51-4fc1-af33-df4f90d6d9f9 | mp-1080201 | Move all surrounding atoms within 2.319 angstrom around the center atom at index 2 by [-0.473 -2.847 3.281] 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... |
MoveAroundAtomAction | 4833e3b9-9585-464d-b824-b5ca7f93bbdd | mp-1228475 | Move all surrounding atoms within 2.263 angstrom around the center atom at index 35 by [ 1.837 -1.593 2.12 ] 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 ... |
MoveAroundAtomAction | 6b75636a-85ce-44b1-8eeb-8bf6eaf3eb0c | mp-25284 | Move all surrounding atoms within 3.119 angstrom around the center atom at index 4 by [-0.535 -0.238 -2.025] 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... |
MoveAroundAtomAction | 61e59496-08ac-4b85-bc42-2aa03f9c6ab9 | mp-2233356 | Move all surrounding atoms within 3.686 angstrom around the center atom at index 5 by [-2.888 2.153 -1.312] 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
... |
MoveAroundAtomAction | bad93716-3548-4c23-8261-d4e350a4a4a2 | mp-1204342 | Move all surrounding atoms within 3.849 angstrom around the center atom at index 4 by [-2.044 0.385 1.092] 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... |
MoveAroundAtomAction | 7cbf69b8-a92d-4c5b-ac84-e872da91f6c5 | mp-1178408 | Move all surrounding atoms within 2.562 angstrom around the center atom at index 18 by [-0.822 0.655 -0.858] 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 ... |
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