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 | 96fc1be4-6505-457a-a1df-9233f7de1bbb | mp-1224477 | Move the atom at index 16 towards the atom at index 14 by 2.477 angstrom in the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... |
MoveTowardsAtomAction | 76e060c1-aca8-4218-b483-ed11d3822647 | mp-2230319 | Move the atom at index 18 towards the atom at index 5 by 0.816 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | d0877651-1f89-4de7-80d0-06b08f7191c0 | mp-1198979 | Move the atom at index 6 towards the atom at index 22 by 1.803 angstrom in the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ead746a6-3512-470b-947b-d24103bb1dfe | mp-557992 | Move the atom at index 12 towards the atom at index 8 by 0.331 angstrom in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 363de32a-da08-4158-9311-785acc977e31 | mp-758446 | Move the atom at index 51 towards the atom at index 0 by 0.929 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | d67c3edf-4037-4ad7-a09e-b9159dcbfe11 | mp-1236280 | Move the atom at index 1 towards the atom at index 12 by 1.148 angstrom in the cif file. | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... |
MoveTowardsAtomAction | 8dcde1ca-7f4b-491f-a3e4-f52eceb3ae4b | mp-1040917 | Move the atom at index 17 towards the atom at index 9 by 0.969 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... |
MoveTowardsAtomAction | d9129049-a53f-4546-a624-d631ea03bce3 | mp-1180897 | Move the atom at index 6 towards the atom at index 0 by 2.75 angstrom in the cif file. | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... |
MoveTowardsAtomAction | bf9de0b7-eca8-47a6-b8ca-61d0d8104ed2 | mp-1290409 | Move the atom at index 3 towards the atom at index 28 by 0.121 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... |
MoveTowardsAtomAction | 35ecc65f-77a6-461c-b54f-dcb6b8962f30 | mp-1208402 | Move the atom at index 11 towards the atom at index 6 by 2.698 angstrom in the cif file. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... |
MoveTowardsAtomAction | 7d510186-bb4b-40b7-84d2-fe68a09ee83b | mp-636946 | Move the atom at index 18 towards the atom at index 9 by 2.115 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... |
MoveTowardsAtomAction | 7f9990ff-3683-4b97-9de8-96ddf88a2f58 | mp-1188515 | Move the atom at index 11 towards the atom at index 18 by 0.318 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | d395e44d-9d6d-40aa-b5d6-17a8d143d17a | mp-1232328 | Move the atom at index 11 towards the atom at index 2 by 0.923 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
MoveTowardsAtomAction | 33951812-a10e-46ba-b83b-177f8c42dea9 | mp-1225817 | Move the atom at index 4 towards the atom at index 10 by 1.497 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... |
MoveTowardsAtomAction | 9ddb227d-cb59-4788-8d5e-e12659ffaa39 | mp-4647 | Move the atom at index 14 towards the atom at index 1 by 2.141 angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... |
MoveTowardsAtomAction | 89225504-8af8-4175-b356-9a289649a6bf | mp-1026788 | Move the atom at index 0 towards the atom at index 1 by 1.395 angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 0146892b-4ec8-4d36-81b9-d00b773c6136 | mp-1106174 | Move the atom at index 16 towards the atom at index 11 by 1.955 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... |
MoveTowardsAtomAction | 3f15b590-0902-4d51-a9eb-8849e82f8b09 | mp-666156 | Move the atom at index 11 towards the atom at index 5 by 0.888 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... |
MoveTowardsAtomAction | 3525fda0-2122-4203-8353-2cb0dca8cb7e | mp-1220577 | Move the atom at index 0 towards the atom at index 20 by 2.555 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... |
MoveTowardsAtomAction | 01fb4cf3-4ed1-4e19-8f4e-716e9599dd92 | mp-1102378 | Move the atom at index 6 towards the atom at index 11 by 0.627 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 7be4494e-41d5-434e-81e0-2826b3bf3936 | mp-1214455 | Move the atom at index 41 towards the atom at index 21 by 0.636 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveTowardsAtomAction | e2cb522e-15a9-4db1-a99f-1ca02b50811b | mp-1245786 | Move the atom at index 30 towards the atom at index 29 by 1.996 angstrom in the cif file. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 | 3587e531-1a70-4b42-a29b-4c273835a764 | mp-772276 | Move the atom at index 23 towards the atom at index 1 by 1.859 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... |
MoveTowardsAtomAction | 13d49044-63be-4d34-aeb0-d6af7a1ad413 | mp-1214285 | Move the atom at index 19 towards the atom at index 56 by 0.39 angstrom in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 2efd4c64-631b-4df5-868a-f434780dc485 | mp-615141 | Move the atom at index 7 towards the atom at index 9 by 1.156 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b6f7ef34-7a10-482c-bce9-c218c45bba27 | mp-1346690 | Move the atom at index 2 towards the atom at index 18 by 1.459 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... |
MoveTowardsAtomAction | a5352ebe-401f-4148-9691-313ca0beaa23 | mp-755554 | Move the atom at index 6 towards the atom at index 7 by 0.958 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | b3ed948b-85fc-4cbd-865d-0846f88836a8 | mp-555706 | Move the atom at index 36 towards the atom at index 25 by 2.701 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | dd31796c-f557-4469-b8e1-0d4266aba55a | mp-1522321 | Move the atom at index 3 towards the atom at index 26 by 2.201 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | c8e5c721-98f7-48ce-9af6-56f6aa562d3a | mp-770944 | Move the atom at index 46 towards the atom at index 43 by 2.551 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... |
MoveTowardsAtomAction | de504d2a-b7b7-42c8-9387-d0fe10bc579b | mp-1036398 | Move the atom at index 22 towards the atom at index 5 by 1.645 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 59a8ec4a-c9ec-46b0-b554-97f444c3c550 | mp-758607 | Move the atom at index 6 towards the atom at index 4 by 1.389 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 3d5fe322-b66a-4436-bff8-9ed9d5e6abce | mp-775316 | Move the atom at index 11 towards the atom at index 46 by 2.963 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... |
MoveTowardsAtomAction | 5511b91e-c2c2-4e4e-84aa-8c86a313989f | mp-558350 | Move the atom at index 44 towards the atom at index 56 by 1.422 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 923e695c-ac6d-4178-9081-29bc86f382f5 | mp-2230319 | Move the atom at index 5 towards the atom at index 2 by 2.878 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 38df6461-76ec-41fa-8507-0d0adc96b5f5 | mp-728512 | Move the atom at index 58 towards the atom at index 39 by 2.413 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveTowardsAtomAction | c71303d9-8186-4226-a2e3-f80c0fe9e350 | mp-1105449 | Move the atom at index 11 towards the atom at index 12 by 0.327 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | dc1c7a0d-d7d4-426a-b71f-1876192d15d3 | mp-608551 | Move the atom at index 16 towards the atom at index 14 by 1.199 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 | c2ab25ab-042e-4946-8451-ec6067555130 | mp-1176688 | Move the atom at index 61 towards the atom at index 80 by 1.809 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_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 Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 89e3d9a7-47a8-464a-ac67-ebb320deaf11 | mp-30447 | Move the atom at index 18 towards the atom at index 27 by 0.777 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveTowardsAtomAction | fd71bcbd-15bc-4241-8b84-4bde26080354 | mp-9511 | Move the atom at index 9 towards the atom at index 3 by 0.712 angstrom in the cif file. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 5f93e8a9-ca97-4a57-a4d1-858474b45a9b | mp-1048483 | Move the atom at index 12 towards the atom at index 6 by 0.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | 774e3e32-1bf8-4945-9fd1-6a412e07b7a4 | mp-756803 | Move the atom at index 6 towards the atom at index 8 by 2.123 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... |
MoveTowardsAtomAction | 7b09d5bd-1068-4ff7-b5d8-6e54ee334b31 | mp-758878 | Move the atom at index 1 towards the atom at index 7 by 0.548 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... |
MoveTowardsAtomAction | a54b29f9-7e61-4dbf-9908-10a96347c0f4 | mp-1028212 | Move the atom at index 5 towards the atom at index 1 by 1.503 angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | f6035fc8-ace1-4cd9-81a7-c5cf2fb492b9 | mp-1205225 | Move the atom at index 39 towards the atom at index 4 by 0.727 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 705b193f-14a5-46ee-aaac-a1218867a2b9 | mp-1214002 | Move the atom at index 5 towards the atom at index 14 by 2.577 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... |
MoveTowardsAtomAction | 4319cea9-85e1-4079-99b2-1c3c5d0aabb3 | mp-1080028 | Move the atom at index 1 towards the atom at index 0 by 2.091 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... |
MoveTowardsAtomAction | 3dd2e52f-4ad0-4312-9916-94dac36ef16e | mp-758001 | Move the atom at index 23 towards the atom at index 31 by 0.319 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 | 2143cb29-1a58-4c26-b492-e48481e19c2c | mp-1225690 | Move the atom at index 5 towards the atom at index 9 by 0.128 angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | c1543850-46df-42c2-9629-303b398c8d28 | mp-978989 | Move the atom at index 5 towards the atom at index 10 by 2.739 angstrom in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 6864437b-6bfb-4746-b5a4-39f0b3dbed3b | mp-568761 | Move the atom at index 22 towards the atom at index 25 by 2.906 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 7f7b5d49-3fda-409e-b5e4-c01030a60173 | mp-17383 | Move the atom at index 2 towards the atom at index 7 by 0.646 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_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 Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_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 | 1e378f1e-44d8-4739-9b24-971decd11529 | mp-1199395 | Move the atom at index 1 towards the atom at index 4 by 0.341 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... |
MoveTowardsAtomAction | ff36bb26-b782-4d72-b411-cef5af2dedba | mp-1029422 | Move the atom at index 3 towards the atom at index 8 by 0.532 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a39f8695-da16-4277-a1da-af551fc0acc9 | mp-1217800 | Move the atom at index 14 towards the atom at index 16 by 0.144 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... |
MoveTowardsAtomAction | 3638e8d3-6117-4557-9219-aed6a1d32a84 | mp-1214079 | Move the atom at index 32 towards the atom at index 36 by 2.004 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | 8704ab7e-6515-4381-9f74-251dc57bb0db | mp-28297 | Move the atom at index 34 towards the atom at index 7 by 0.482 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 | 0a2bdaff-b320-4346-bb4c-d433f65e2a67 | mp-1218215 | Move the atom at index 33 towards the atom at index 18 by 2.952 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveTowardsAtomAction | a590effb-80af-49a3-9a43-8717283ffdbc | mp-1224199 | Move the atom at index 15 towards the atom at index 5 by 1.2 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... |
MoveTowardsAtomAction | 500c8364-8f2f-42d8-b6d3-6edfa5ff383b | mp-728431 | Move the atom at index 24 towards the atom at index 16 by 1.823 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... |
MoveTowardsAtomAction | c3630569-edaa-4ded-ae2d-c8bbf46b92fa | mp-559593 | Move the atom at index 8 towards the atom at index 24 by 1.508 angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveTowardsAtomAction | 7ce7b857-91d0-492b-b1b2-e3cd757978f9 | mp-1177360 | Move the atom at index 14 towards the atom at index 21 by 0.744 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... |
MoveTowardsAtomAction | 3935d0d7-8372-4399-b1cb-9468bd63fbae | mp-557500 | Move the atom at index 9 towards the atom at index 4 by 2.668 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 | 8c0e6fae-62a3-4e48-b4b7-c6cf74f0136f | mp-19489 | Move the atom at index 60 towards the atom at index 27 by 1.788 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 8b5baf0c-1cf5-4f55-82a3-88230e89a23f | mp-1176082 | Move the atom at index 21 towards the atom at index 9 by 0.136 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... |
MoveTowardsAtomAction | f0c5f4c4-9c26-4ad7-a4ae-e9def426d8d2 | mp-775339 | Move the atom at index 24 towards the atom at index 40 by 0.22 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... |
MoveTowardsAtomAction | 12cfe74b-59e7-48ed-8785-c628dda0e8dc | mp-1112417 | Move the atom at index 9 towards the atom at index 8 by 1.629 angstrom in the cif file. | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 49cc2090-5c36-4103-aa5a-2ba102a73538 | mp-25285 | Move the atom at index 1 towards the atom at index 7 by 1.793 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 76267da3-20ff-40b5-ae21-6eedbc82900e | mp-2227842 | Move the atom at index 11 towards the atom at index 12 by 1.281 angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... |
MoveTowardsAtomAction | 03bb510b-45d0-4529-8381-d53629911c4d | mp-558636 | Move the atom at index 10 towards the atom at index 5 by 2.249 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | c8544674-2eb3-4b7f-bbe1-fa42297217fe | mp-570684 | Move the atom at index 10 towards the atom at index 5 by 0.403 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | cb224ebc-b704-4212-8a26-9a40c1a401f2 | mp-18245 | Move the atom at index 18 towards the atom at index 20 by 2.372 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | cc22441d-ab0b-418b-8d4b-89e95bd4a4a3 | mp-571569 | Move the atom at index 10 towards the atom at index 16 by 1.125 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 9136885e-1fc4-4d1e-bab9-6d4c862aed46 | mp-759145 | Move the atom at index 20 towards the atom at index 38 by 0.244 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveTowardsAtomAction | bf72d8e0-afb0-41ff-8248-ccf3262d836e | mp-1224658 | Move the atom at index 1 towards the atom at index 2 by 2.864 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | f574710e-31a6-49b4-a8a7-642773a2ed91 | mp-1228355 | Move the atom at index 1 towards the atom at index 20 by 0.603 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 566e2c8c-c44d-42a8-b8b3-105c3e556016 | mp-626573 | Move the atom at index 28 towards the atom at index 4 by 1.048 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... |
MoveTowardsAtomAction | 56501a04-4b8e-43be-aaff-18ed020cff66 | mp-1522695 | Move the atom at index 4 towards the atom at index 7 by 0.968 angstrom in the cif file. | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveTowardsAtomAction | 28e52b1f-c00b-4ab6-b924-222d55947ba7 | mp-1196766 | Move the atom at index 67 towards the atom at index 26 by 2.792 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 1100c786-3a80-4218-bbd3-a241d9fa9388 | mp-1520482 | Move the atom at index 3 towards the atom at index 1 by 1.567 angstrom in the cif file. | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveTowardsAtomAction | 39bf11d6-8b68-4fa0-8d23-285870b9743f | mp-613620 | Move the atom at index 25 towards the atom at index 4 by 0.512 angstrom in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 2708e7cc-251f-4562-b479-33b0cb44f67c | mp-1225428 | Move the atom at index 10 towards the atom at index 7 by 0.93 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 1189daa5-6d24-4cea-bf92-bd1109ee862a | mp-1208988 | Move the atom at index 2 towards the atom at index 11 by 2.597 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 4be4e16a-496b-4ce4-8da9-29f7be772147 | mp-530449 | Move the atom at index 73 towards the atom at index 75 by 0.283 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... |
MoveTowardsAtomAction | fed0e6e7-2ae3-4f8b-8bff-c160066c61d7 | mp-604304 | Move the atom at index 37 towards the atom at index 29 by 2.888 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_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 Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_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 | 227b18fc-fce1-47fd-96d3-8f6dbef1f3e6 | mp-1102486 | Move the atom at index 6 towards the atom at index 7 by 1.12 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... |
MoveTowardsAtomAction | f142fd1b-fb37-4807-a7c8-bd02a119b559 | mp-768947 | Move the atom at index 22 towards the atom at index 17 by 1.762 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... |
MoveTowardsAtomAction | 789dca6c-fa6e-47f1-b48e-4fa54069d99f | mp-1174188 | Move the atom at index 19 towards the atom at index 11 by 2.12 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... |
MoveTowardsAtomAction | 7ecce847-a713-4d5d-8a8c-7ca8e4392562 | mp-778104 | Move the atom at index 0 towards the atom at index 28 by 0.805 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 | cebd9443-f4ff-48af-8a0c-90e4e750a678 | mp-726132 | Move the atom at index 15 towards the atom at index 5 by 2.912 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveTowardsAtomAction | d9980f11-dc55-4446-8f8e-fd09534ef7e5 | mp-1214497 | Move the atom at index 36 towards the atom at index 6 by 1.25 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b78bebab-2111-4860-bc34-6c1274b6afd3 | mp-1520242 | Move the atom at index 4 towards the atom at index 5 by 0.126 angstrom in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveTowardsAtomAction | 97b65270-aec6-4012-b681-017fcbbdbd9a | mp-2713621 | Move the atom at index 23 towards the atom at index 61 by 1.616 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveTowardsAtomAction | 15d717c1-5ed0-4317-9754-dbb22522630c | mp-1213326 | Move the atom at index 47 towards the atom at index 41 by 2.85 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... |
MoveTowardsAtomAction | d227bc3c-b317-4cb3-9225-e1a012fcdb10 | mp-1103985 | Move the atom at index 10 towards the atom at index 13 by 0.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
MoveTowardsAtomAction | 494a268a-5be5-4146-9d87-21b830afb918 | mp-2227842 | Move the atom at index 6 towards the atom at index 1 by 1.421 angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... |
MoveTowardsAtomAction | c48d4d3b-e5b4-44c0-83c8-4fa8a3cf559e | mp-1027965 | Move the atom at index 10 towards the atom at index 0 by 1.073 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... |
MoveTowardsAtomAction | dd0a6d1e-dc94-483d-96c8-2ba68e4ed776 | mp-2958 | Move the atom at index 0 towards the atom at index 9 by 1.017 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 | 64311655-d119-411d-93f8-4171c76a0a40 | mp-542012 | Move the atom at index 36 towards the atom at index 5 by 0.797 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... |
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