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 |
|---|---|---|---|---|---|
MoveAtomAction | ada90627-b79e-41b2-bdcc-4b837f979feb | mp-1181218 | Move the atom at index 49 by [-3.312 -1.042 -0.591] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... |
MoveAtomAction | 9cec2399-5f7c-423d-842a-3b7c448d71dd | mp-767746 | Move the atom at index 2 by [-1.753 2.005 0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... |
MoveAtomAction | 36e57f81-d1a2-4ee5-8de8-cf438fecea27 | mp-2715422 | Move the atom at index 45 by [ 0.176 -0.68 1.44 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
MoveAtomAction | f5118b04-40ac-4009-82a5-9400a9673438 | mp-12109 | Move the atom at index 10 by [ 1.828 2.029 -0.85 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 03b27e92-2aa2-45ad-9eff-e2102eeec577 | mp-758218 | Move the atom at index 32 by [-3.294 1.308 0.198] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | 95022d65-a44e-4f3b-993c-ca0520307b1e | mp-1520271 | Move the atom at index 5 by [ 0.94 -0.548 -3.219] angstrom in the cif file. | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
MoveAtomAction | c3f0e2c4-7212-4faf-9948-4ba9f6631d08 | mp-1203577 | Move the atom at index 28 by [ 0.877 -2.25 0.547] angstrom in the cif file. | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 5849d994-ae5f-4ad6-9a2d-bca45383188e | mp-2228450 | Move the atom at index 4 by [-3.36 0.328 1.732] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
MoveAtomAction | 4643d4d3-c760-489d-8889-5e8b4811c8f0 | mp-1104064 | Move the atom at index 6 by [-0.116 -1.261 -2.101] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... |
MoveAtomAction | 433fd149-849a-4643-b352-c136de727678 | mp-666156 | Move the atom at index 8 by [1.36 1.269 1.467] 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... |
MoveAtomAction | 4576c03b-9acb-42ef-80f2-df02add5ffc0 | mp-1208560 | Move the atom at index 3 by [-1.936 -0.774 1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... |
MoveAtomAction | 11e7b5d8-7303-41eb-8bdd-76e4ef4bb011 | mp-850933 | Move the atom at index 19 by [ 1.438 -0.112 2.209] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | 4d833482-9841-41e5-9269-85a323af7fa5 | mp-1102559 | Move the atom at index 4 by [-4.87 0.13 3.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... |
MoveAtomAction | a2730a06-ebab-4d1d-b4ce-1d3786b75003 | mp-979979 | Move the atom at index 14 by [-2.148 -2.193 -0.087] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... |
MoveAtomAction | afd13487-a950-4e90-b338-a46c7bc05dd7 | mp-1196015 | Move the atom at index 22 by [-1.739 -0.671 0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 1888a321-a6fc-47ad-b39e-302a552b41d6 | mp-756272 | Move the atom at index 14 by [ 0.867 0.037 -1.807] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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... |
MoveAtomAction | d01ef20b-575f-407e-8cd7-b2c7789942ad | mp-756666 | Move the atom at index 8 by [ 0.581 -0.195 -2.292] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... |
MoveAtomAction | c84302e4-4a43-4fcc-9a8c-42300846a86a | mp-1179847 | Move the atom at index 9 by [-2.169 3.243 -0.876] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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_... |
MoveAtomAction | 6bd3e7b4-0c42-463f-91c2-fd6cd51742c6 | mp-8081 | Move the atom at index 17 by [ 1.178 2.874 -0.562] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 50cbf07f-d259-47a6-8748-889be14a865b | mp-23565 | Move the atom at index 1 by [1.977 2.478 0.533] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... |
MoveAtomAction | 80ec87be-381f-4f39-8b0a-e9379a1899dd | mp-1197284 | Move the atom at index 26 by [-1.271 0.411 -0.375] angstrom in the cif file. | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | cc9c3eaa-3869-44f8-9916-0962e1c7fd32 | mp-1520792 | Move the atom at index 3 by [-1.059 -0.22 -4.265] angstrom in the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... |
MoveAtomAction | 8081862b-f56b-46fb-bcfd-15c5d38f906f | mp-1182975 | Move the atom at index 7 by [-1.45 -5.078 -1.406] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... |
MoveAtomAction | 98ed5a14-4002-4c95-8513-29dc8eb35612 | mp-1214464 | Move the atom at index 12 by [-1.268 -3.194 0.899] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
MoveAtomAction | 464b8b0b-dd2a-4e5b-9791-0a357c206ab9 | mp-10091 | Move the atom at index 4 by [-2.606 -0.173 -4.142] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... |
MoveAtomAction | 78825748-f9de-4ec5-ba60-7d68d0d774e8 | mp-1190979 | Move the atom at index 21 by [ 4.174 -0.867 -0.762] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... |
MoveAtomAction | 047f3419-81a8-41c6-bcfa-36107d0f3998 | mp-1201588 | Move the atom at index 22 by [-0.304 -2.427 1.476] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... |
MoveAtomAction | 30f9061a-cd1b-4570-a00c-d41690bb6f7f | mp-23675 | Move the atom at index 9 by [1.133 0.942 0.794] angstrom in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAtomAction | 2fa72603-675f-47e9-a0c3-e44db11de471 | mp-1182382 | Move the atom at index 2 by [-0.989 2.909 -1.827] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... |
MoveAtomAction | a0dc8799-c3ae-4487-afac-da28533f858c | mp-1223078 | Move the atom at index 8 by [ 0.052 -0.939 -0.619] angstrom in the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... |
MoveAtomAction | b09dd6bf-566a-483f-a884-673fdb80bd2c | mp-567505 | Move the atom at index 10 by [-1.327 -0.786 -1.699] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
MoveAtomAction | de3efb93-6e1e-4b62-a62c-c0e001f86e55 | mp-2232136 | Move the atom at index 12 by [-1.399 -3.463 -2.024] angstrom in the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... |
MoveAtomAction | 2f070fc8-e5bf-4527-bb2a-69d6e3eb73fd | mp-768242 | Move the atom at index 13 by [-1.295 1.37 -0.947] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... |
MoveAtomAction | 96720174-7194-405d-bbed-7cc9922007c3 | mp-540477 | Move the atom at index 4 by [7.112 0.611 1.821] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... |
MoveAtomAction | 0f5a31a6-fca0-4c50-9b4b-872782bce893 | mp-1219571 | Move the atom at index 5 by [-0.825 -0.219 -0.461] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... |
MoveAtomAction | b5efef26-3516-442f-a53c-1a6521db5d04 | mp-1200661 | Move the atom at index 36 by [ 0.134 -0.552 -0.848] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... |
MoveAtomAction | ab72d722-42ac-4a96-b12f-6d044814a79e | mp-1198231 | Move the atom at index 7 by [1.261 0.889 1.585] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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... |
MoveAtomAction | 16e66dd8-0cac-48db-9830-0ebb0c08b583 | mp-752818 | Move the atom at index 8 by [0.731 3.372 1.431] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... |
MoveAtomAction | 011c6e15-96f3-4a9d-865b-d41d38027e55 | mp-1218449 | Move the atom at index 8 by [ 0.908 -0.22 -2.015] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveAtomAction | 78a81ed7-d21d-4610-9365-da0c330ff561 | mp-1182238 | Move the atom at index 17 by [ 1.521 -1.52 -1.421] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | 9170b120-a725-47be-b064-30eb683492a8 | mp-627591 | Move the atom at index 6 by [ 0.761 -1.504 -2.992] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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... |
MoveAtomAction | 143ebf2c-00c0-4a3f-a926-834b6a0a5886 | mp-22106 | Move the atom at index 12 by [ 0.572 -0.862 -1.372] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | 40aa5bdf-5f12-45be-86e7-e37f8856dc38 | mp-27707 | Move the atom at index 1 by [-0.286 -1.613 -0.62 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... |
MoveAtomAction | 7f8c2710-c916-4c17-9869-5ca8349e8060 | mp-1196261 | Move the atom at index 37 by [ 1.376 -3.15 -0.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 17cc03ad-d9e2-48ee-9ff0-ff1ec96703ea | mp-559062 | Move the atom at index 4 by [ 0.204 -0.049 0.229] angstrom in the cif file. | data_image0
_chemical_formula_structural K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_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 K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | db7ee09e-319f-41ce-b7ec-4c0d2ae26ab5 | mp-1223827 | Move the atom at index 3 by [ 0.373 -3.272 -0.221] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... |
MoveAtomAction | 7fff5359-a5ad-4589-bb21-d299df5efeca | mp-1043245 | Move the atom at index 0 by [-0.572 -1.735 -4.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... |
MoveAtomAction | 42023678-eb40-4524-9586-5aead3d99644 | mp-1043973 | Move the atom at index 19 by [0.362 2.055 0.712] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_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... |
MoveAtomAction | 37cb5fba-547f-4f43-a740-e1e7fe46c94d | mp-15203 | Move the atom at index 79 by [ 2.22 -4.125 -1.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
MoveAtomAction | 9cca37b8-5869-4d18-9d97-c794eec0b0cd | mp-779456 | Move the atom at index 20 by [ 0.364 -3.715 -3.947] angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 02b8d91c-d396-4f55-a8b5-1f7aace3a513 | mp-752818 | Move the atom at index 15 by [3.381 0.299 2.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... |
MoveAtomAction | ca9a4c0b-5fbb-4f86-a2a0-190acc66232e | mp-1200075 | Move the atom at index 37 by [-2.939 -2.273 0.401] angstrom in the cif file. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... |
MoveAtomAction | cefac557-5c46-4b43-aa6a-fc27eae58bef | mp-1178412 | Move the atom at index 18 by [-3.357 -0.437 2.904] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | bc57cf8f-8230-420d-a462-05aa0d0bb038 | mp-581602 | Move the atom at index 8 by [-0.851 0.818 -4.31 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... |
MoveAtomAction | f485bf8a-97c0-4121-b535-0b4adac4d28b | mp-756136 | Move the atom at index 13 by [0.587 0.237 1.869] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | eb7e226b-a935-4bf0-933b-566c02c62320 | mp-1216973 | Move the atom at index 20 by [1.336 0.089 0.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 9186844d-2c87-4d58-82a2-1599ce6370bf | mp-1195679 | Move the atom at index 30 by [ 1.787 -0.058 2.122] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... |
MoveAtomAction | 639d1368-b822-456d-897d-06f056834def | mp-2232113 | Move the atom at index 5 by [ 0.604 -1.736 3.991] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... |
MoveAtomAction | 325336ff-2816-42af-a1cb-a64aa62c03de | mp-17235 | Move the atom at index 40 by [ 0.622 2.03 -4.313] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... |
MoveAtomAction | 5ffc58b7-8c35-4d11-9bda-ed0c9ffb6e1a | mp-1247179 | Move the atom at index 77 by [-3.275 1.158 0.555] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 5c5abb6f-e5ec-4072-a119-c88c6b48dfc2 | mp-721246 | Move the atom at index 3 by [0.073 2.377 1.64 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_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 Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | 33bd2264-cfbd-4f13-84ea-4ab9e93dc128 | mp-1174755 | Move the atom at index 19 by [-2.444 1.063 2.363] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... |
MoveAtomAction | 72145d26-6c3d-401a-89f1-281869b2052b | mp-1196633 | Move the atom at index 15 by [-0.952 -0.645 0.829] angstrom in the cif file. | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... |
MoveAtomAction | e41c0251-1375-4ba2-8007-5dbb0f611123 | mp-1199158 | Move the atom at index 17 by [0.639 3.112 0.442] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... |
MoveAtomAction | 53386414-3d9b-4a69-a332-65d873f2b95d | mp-1225690 | Move the atom at index 4 by [-2.397 -0.575 0.035] 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... |
MoveAtomAction | 4a9268e1-a847-4a9b-9724-7a2aefce9cdc | mp-698063 | Move the atom at index 24 by [ 0.596 4.027 -2.102] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... |
MoveAtomAction | b10ebb7a-a203-4932-bcf1-61dcd9bc8ec9 | mp-1245147 | Move the atom at index 18 by [ 0.893 0.42 -1.886] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... |
MoveAtomAction | 97623e8f-9849-4668-aff9-f62802423ad5 | mp-1192677 | Move the atom at index 8 by [-3.05 -1.984 -0.641] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... |
MoveAtomAction | 29a1b202-c735-49c3-ab1e-f84b8ee02b7c | mp-2230889 | Move the atom at index 16 by [ 4.94 1.621 -0.751] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... |
MoveAtomAction | 10f128a9-317b-48fc-bafc-1a5ad83aeb99 | mp-1034441 | Move the atom at index 25 by [-0.786 -0.593 -1.957] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 44905e89-ae73-4d4f-8213-c5f0718c1dcf | mp-1104301 | Move the atom at index 3 by [0.624 1.715 2.469] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... |
MoveAtomAction | fb94b159-3a3a-4aec-842f-34941a753c5f | mp-1176375 | Move the atom at index 36 by [-0.572 -4.767 0.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... |
MoveAtomAction | 8191e65b-8a3e-42c1-8bdd-7cec9a5fe71c | mp-642735 | Move the atom at index 3 by [ 1.372 -2.428 -1.533] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAtomAction | 24b535d2-d180-442d-8b77-de31a5f5f93a | mp-31180 | Move the atom at index 1 by [ 1.557 0.489 -0.171] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | f1039506-1e52-4e43-a1b9-7cb79bf378fd | mp-1406703 | Move the atom at index 7 by [-1.916 -4.072 -0.579] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... |
MoveAtomAction | 87dfd349-ce16-4170-a1dc-5c11cbadb359 | mp-849398 | Move the atom at index 58 by [-0.668 -0.295 -2.357] angstrom in the cif file. | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 72bcb52a-3423-477b-8d5c-ae4f75626555 | mp-1046244 | Move the atom at index 6 by [ 2.409 -0.198 1.742] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... |
MoveAtomAction | a05bce42-9e9b-4950-b03e-7ab7e38ea196 | mp-1305999 | Move the atom at index 12 by [-0.209 3.721 -0.308] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... |
MoveAtomAction | 5e456077-575c-4694-9c47-ae86f446389f | mp-1228296 | Move the atom at index 20 by [-1.656 -2.65 -0.102] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... |
MoveAtomAction | a419b890-4942-4331-8682-cd83296281e6 | mp-1030404 | Move the atom at index 2 by [ 6.121 1.685 -4.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... | data_image0
_chemical_formula_structural Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... |
MoveAtomAction | ae0efac3-6bef-4f1b-a6a6-8399c3369b1e | mp-752461 | Move the atom at index 5 by [-0.278 -2.252 -0.073] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... |
MoveAtomAction | 27a51596-c7db-4d88-8cb2-11f110021857 | mp-756993 | Move the atom at index 16 by [ 0.158 2.876 -1.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
MoveAtomAction | 335de3bc-2a6a-4780-95c3-b08ca95b6e02 | mp-1194895 | Move the atom at index 12 by [ 0.076 -2.919 -2.252] angstrom in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveAtomAction | 4be2768d-3c47-483e-a141-b5de5be5d900 | mp-1198355 | Move the atom at index 18 by [ 0.203 1.571 -0.209] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | 8e7fc4c6-bced-40f9-811e-56cd535cf0b3 | mp-616196 | Move the atom at index 8 by [-1.094 3.097 -0.225] angstrom in the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... |
MoveAtomAction | 88dfa8ef-991c-4acf-ac3c-ce2c70b3c2ef | mp-705637 | Move the atom at index 19 by [ 1.843 -0.637 2.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... |
MoveAtomAction | 071bc7fa-df6e-4ce3-bad8-62c4b0383927 | mp-19140 | Move the atom at index 16 by [-0.016 1.299 0.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... |
MoveAtomAction | 9221d0d8-d546-493e-9196-e96ad065ca0f | mp-1111056 | Move the atom at index 6 by [-2.226 -5.854 1.186] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2LiAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | 0f51d074-39af-4bef-9548-d6d31b77d733 | mp-777888 | Move the atom at index 19 by [-3.546 0.575 1.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... |
MoveAtomAction | faeeaaa7-5c34-4681-86bd-49edb7466cef | mp-1195020 | Move the atom at index 27 by [ 0.314 -1.291 1.818] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 53482c71-3e8f-4093-99be-533153f74a44 | mp-768505 | Move the atom at index 27 by [ 2.336 -3.533 2.569] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... |
MoveAtomAction | 89679d57-091c-4d65-b9d1-4f03f1a7c1d4 | mp-1235973 | Move the atom at index 1 by [1.908 5.083 1.511] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
MoveAtomAction | 78216ad3-218b-4556-8292-38d46ff2ed6f | mp-1102412 | Move the atom at index 8 by [-0.387 -1.732 3.057] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... |
MoveAtomAction | ea68eb51-db1f-4ca3-9ba2-cc3a4e02afdc | mp-1095574 | Move the atom at index 4 by [-2.416 4.063 0.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAtomAction | 79a9a0bb-a585-4da8-b138-711e9decd716 | mp-1023289 | Move the atom at index 14 by [2.298 3.482 0.607] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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... |
MoveAtomAction | 399648cc-9a51-422c-9696-d8ffdd8bb562 | mp-1021306 | Move the atom at index 11 by [-1.333 0.62 0.225] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12B2
_chemical_formula_sum "Li2 Mg12 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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 Li2Mg12B2
_chemical_formula_sum "Li2 Mg12 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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... |
MoveAtomAction | d0b6aa9d-1fef-4369-88a5-3c336a541c95 | mp-530600 | Move the atom at index 63 by [-0.734 -0.501 -2.254] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Ti21O48
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494276
_... | data_image0
_chemical_formula_structural Li14Ti21O48
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494276
_... |
MoveAtomAction | c4c5d709-70fe-495a-891d-4e9a5a73d3da | mp-637030 | Move the atom at index 6 by [0.148 0.805 0.841] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... |
MoveAtomAction | 547bc2e0-d642-4224-96d2-5e6bfb7a7281 | mp-1078353 | Move the atom at index 13 by [0.34 4.806 1.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... |
MoveAtomAction | 0c479a23-13e0-4429-b48e-c1e894b1c19a | mp-20817 | Move the atom at index 10 by [ 3.483 1.754 -0.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
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