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 | 48390ba9-d08e-4001-a16c-8c08e1042bf0 | mp-1233053 | Move the atom at index 6 towards the atom at index 7 by 2.515 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... |
MoveTowardsAtomAction | df68dbf5-89f2-487d-be97-2166a4dba612 | mp-3887 | Move the atom at index 22 towards the atom at index 41 by 2.709 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveTowardsAtomAction | 7db311e5-88d3-4a55-bf9d-be45b8f6dad7 | mp-652961 | Move the atom at index 35 towards the atom at index 23 by 2.079 angstrom in the cif file. | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... |
MoveTowardsAtomAction | 8756f3bb-547d-47c1-a186-e59fd1ae0731 | mp-630927 | Move the atom at index 10 towards the atom at index 5 by 1.119 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveTowardsAtomAction | aa2f5dc5-c0bc-42a8-a419-939ddc671742 | mp-625941 | Move the atom at index 11 towards the atom at index 1 by 2.152 angstrom in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
MoveTowardsAtomAction | 6130385e-bed4-449a-8aa8-f7d87998ed0f | mp-754697 | Move the atom at index 8 towards the atom at index 7 by 2.945 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... |
MoveTowardsAtomAction | ef803305-df9e-497c-8479-22f2f5990990 | mp-1113179 | Move the atom at index 4 towards the atom at index 1 by 2.962 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | aa2be96d-7eb6-4266-a7d4-52d7beeb356a | mp-1234758 | Move the atom at index 1 towards the atom at index 28 by 0.862 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
MoveTowardsAtomAction | d6b8b28e-c8dc-4b9c-90fa-f1a33eae9a87 | mp-1247343 | Move the atom at index 13 towards the atom at index 9 by 2.37 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveTowardsAtomAction | 51ebedfe-fc0e-4acf-ac2d-27dd611bf209 | mp-1028304 | Move the atom at index 0 towards the atom at index 15 by 1.805 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ce10468b-552c-4e92-8c72-bdc30beb077c | mp-680301 | Move the atom at index 3 towards the atom at index 6 by 1.779 angstrom in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 14ba89c3-173a-4c05-8030-32abee15eee6 | mp-777845 | Move the atom at index 16 towards the atom at index 14 by 2.007 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... |
MoveTowardsAtomAction | e0b4c8ba-9b55-47dc-9b82-722dbfc6b40e | mp-1106129 | Move the atom at index 16 towards the atom at index 11 by 2.769 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 | 6e57eaef-e5ba-4f23-80fd-20f0a2312435 | mp-558497 | Move the atom at index 39 towards the atom at index 40 by 2.975 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... |
MoveTowardsAtomAction | 089996e5-9ff5-422c-a5de-d17215a573b9 | mp-866339 | Move the atom at index 17 towards the atom at index 13 by 1.613 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... |
MoveTowardsAtomAction | 31120688-b675-49bd-95d1-20590a12cc6f | mp-1647971 | Move the atom at index 37 towards the atom at index 26 by 2.74 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... |
MoveTowardsAtomAction | be278a00-7132-4226-a433-e8450d67e153 | mp-1028023 | Move the atom at index 4 towards the atom at index 0 by 1.633 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 022156e4-4efe-4189-885a-9d08ccc36321 | mp-680301 | Move the atom at index 30 towards the atom at index 19 by 2.218 angstrom in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 6733c999-fc04-4f62-9fb4-dd161e413991 | mp-1247343 | Move the atom at index 0 towards the atom at index 5 by 2.307 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveTowardsAtomAction | e7a4ae48-70ef-4ac8-9935-6da566cf8aa9 | mp-1221251 | Move the atom at index 31 towards the atom at index 18 by 2.623 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... |
MoveTowardsAtomAction | ac414782-0bfe-4b05-85d3-b470c4943aac | mp-768784 | Move the atom at index 29 towards the atom at index 26 by 2.171 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... |
MoveTowardsAtomAction | 1b3664f1-b717-4807-b485-fba84f4d8756 | mp-1209619 | Move the atom at index 1 towards the atom at index 6 by 2.331 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... |
MoveTowardsAtomAction | 74f85e23-d6ff-43e8-bb5c-a8b0d4fd2a3f | mp-770612 | Move the atom at index 26 towards the atom at index 39 by 2.614 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 885e0e14-79bb-4b74-be66-f7e8e38d464b | mp-1006615 | Move the atom at index 17 towards the atom at index 47 by 1.023 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | cdfc2549-fa13-4543-89de-9e21b6b48ab1 | mp-3653 | Move the atom at index 4 towards the atom at index 6 by 2.408 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 97bd6aca-9d07-4012-9ba1-43ed4912185d | mp-571384 | Move the atom at index 14 towards the atom at index 5 by 2.301 angstrom in the cif file. | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... |
MoveTowardsAtomAction | a3f08319-70db-4c22-8401-e4ad9ee0c941 | mp-1101293 | Move the atom at index 16 towards the atom at index 8 by 1.418 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... |
MoveTowardsAtomAction | c2fa3cef-dd70-414d-8489-28980eeaccf0 | mp-1226365 | Move the atom at index 6 towards the atom at index 0 by 1.661 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... |
MoveTowardsAtomAction | d82a355d-f69e-4e14-a757-3e9c86b9518c | mp-1247343 | Move the atom at index 0 towards the atom at index 17 by 0.61 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveTowardsAtomAction | a7132303-71e5-4d8f-ac1f-aba852a87e7e | mp-779515 | Move the atom at index 9 towards the atom at index 22 by 1.877 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... |
MoveTowardsAtomAction | 7a96d574-1dac-468a-b487-e8d1e9722952 | mp-627632 | Move the atom at index 57 towards the atom at index 13 by 1.799 angstrom in the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... |
MoveTowardsAtomAction | 89e18566-c83a-44f2-a9bc-64ac2ed078a9 | mp-1220089 | Move the atom at index 15 towards the atom at index 5 by 1.161 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... |
MoveTowardsAtomAction | fae9a2f5-39f2-4737-84e3-3e8a4cbf00b9 | mp-558350 | Move the atom at index 12 towards the atom at index 47 by 2.104 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 | 4e009456-62c1-44e4-a266-3127346b1c57 | mp-31502 | Move the atom at index 9 towards the atom at index 5 by 0.249 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 1abf9a91-14e1-4c09-ae36-78dffd13ca92 | mp-1102412 | Move the atom at index 11 towards the atom at index 3 by 1.03 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 "... |
MoveTowardsAtomAction | 946c7f7c-64c6-4d0d-ad9d-cea95fb7ce23 | mp-1214552 | Move the atom at index 28 towards the atom at index 4 by 0.581 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
MoveTowardsAtomAction | 557c6ed0-1e4a-40de-8ec3-5757a9e7345f | mp-1223668 | Move the atom at index 8 towards the atom at index 6 by 2.091 angstrom in the cif file. | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... |
MoveTowardsAtomAction | afc2602e-068a-4e65-a352-1a0f5e145b08 | mp-18010 | Move the atom at index 2 towards the atom at index 14 by 0.614 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | fe41cb6c-fc5f-48d4-af18-198ad22aca0a | mp-1519716 | Move the atom at index 22 towards the atom at index 34 by 0.65 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | b51a6f8c-6a1f-41f5-89bb-bcc0250b1839 | mp-20083 | Move the atom at index 11 towards the atom at index 8 by 2.479 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 82f864f7-e14b-4f5d-84e3-e9b188c1cf2b | mp-772223 | Move the atom at index 44 towards the atom at index 24 by 0.279 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 6c97fbb3-7c12-4044-86ac-9ce8a86a0ffb | mp-1026412 | Move the atom at index 2 towards the atom at index 9 by 1.329 angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveTowardsAtomAction | ac0529f1-5d55-4666-8919-18bd77a6cc28 | mp-762529 | Move the atom at index 11 towards the atom at index 8 by 2.996 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... |
MoveTowardsAtomAction | 6d3b45fc-e8e9-4cac-905d-26cbdba05a7e | mp-1042942 | Move the atom at index 2 towards the atom at index 19 by 1.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... |
MoveTowardsAtomAction | c713c795-9cf4-49c0-8693-5c7841fe67b6 | mp-2228739 | Move the atom at index 12 towards the atom at index 7 by 1.624 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... |
MoveTowardsAtomAction | 51516031-fea7-453e-8735-9c16237a1254 | mp-1235631 | Move the atom at index 8 towards the atom at index 13 by 2.94 angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
MoveTowardsAtomAction | d77beee1-d897-405b-99b5-5ac60d116098 | mp-778500 | Move the atom at index 53 towards the atom at index 39 by 0.6 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... |
MoveTowardsAtomAction | 3eada9f8-c439-4c2e-be92-127deefb9aff | mp-1246200 | Move the atom at index 1 towards the atom at index 32 by 1.199 angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_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 Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 215c0728-7089-4359-b732-6fe82a933fae | mp-1216954 | Move the atom at index 14 towards the atom at index 15 by 2.262 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
MoveTowardsAtomAction | dc11717f-8bf6-4847-948f-853fad26e103 | mp-1214127 | Move the atom at index 16 towards the atom at index 70 by 0.216 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
MoveTowardsAtomAction | e3e40770-6c85-4500-b00c-ceb1ce169c56 | mp-770718 | Move the atom at index 22 towards the atom at index 7 by 0.975 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
MoveTowardsAtomAction | f03aa666-880c-4027-a226-373ceb5e6a06 | mp-3824 | Move the atom at index 9 towards the atom at index 3 by 2.621 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | a10b76bf-457c-43e9-b4f8-38e8ad9e5e6a | mp-9511 | Move the atom at index 9 towards the atom at index 12 by 1.006 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 | e7444fbf-cea1-4457-ae3e-d1dff70c523c | mp-555792 | Move the atom at index 13 towards the atom at index 12 by 0.37 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 50050b4e-8164-4e7a-8098-a2486cc72e71 | mp-767746 | Move the atom at index 8 towards the atom at index 0 by 0.856 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... |
MoveTowardsAtomAction | f8c58f4c-a564-4daf-b4d5-9bc05e773bda | mp-2230290 | Move the atom at index 4 towards the atom at index 5 by 0.37 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... |
MoveTowardsAtomAction | 4e87e8c7-03ac-48ca-a470-973c7fcb09e9 | mp-1223717 | Move the atom at index 5 towards the atom at index 27 by 0.556 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... |
MoveTowardsAtomAction | c6540d1b-6022-48a5-b18e-026007ac618e | mp-31908 | Move the atom at index 13 towards the atom at index 0 by 1.034 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... |
MoveTowardsAtomAction | 09653596-7801-4039-96ae-18cc6adb5810 | mp-1177762 | Move the atom at index 15 towards the atom at index 26 by 2.065 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... |
MoveTowardsAtomAction | fd8c7a46-0fbc-48b6-9766-dda931c7c77b | mp-618177 | Move the atom at index 12 towards the atom at index 23 by 0.585 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | dfbc3c20-9ddb-4ab6-af5f-3fadfeab33eb | mp-1214678 | Move the atom at index 23 towards the atom at index 1 by 2.557 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... |
MoveTowardsAtomAction | 6d12566f-ba1a-43c3-896d-e4e09f7070c9 | mp-2232781 | Move the atom at index 8 towards the atom at index 5 by 0.751 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
MoveTowardsAtomAction | 9e68e71d-9d4d-4664-8252-047e3481d819 | mp-754324 | Move the atom at index 10 towards the atom at index 7 by 2.035 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... |
MoveTowardsAtomAction | 7bf5747d-f5ff-43d2-a912-e9cdfa64228e | mp-557634 | Move the atom at index 30 towards the atom at index 6 by 1.802 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
MoveTowardsAtomAction | d5eaec10-f5d3-4aa9-942c-ac0faf1cdbf4 | mp-768442 | Move the atom at index 11 towards the atom at index 6 by 2.656 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | d6889e26-2ab0-4d6f-b3be-9c7c41f45e00 | mp-1245478 | Move the atom at index 0 towards the atom at index 16 by 2.947 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... |
MoveTowardsAtomAction | d0d5909d-ca58-4527-9d6f-1c39b294cbbb | mp-1223259 | Move the atom at index 1 towards the atom at index 8 by 0.728 angstrom in the cif file. | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... |
MoveTowardsAtomAction | 0be8a7d8-fc92-4619-a3ec-ebd05c81f4e1 | mp-29853 | Move the atom at index 21 towards the atom at index 19 by 1.457 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_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 Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_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 | e295daa8-a8d3-47e2-aaa0-ebe1ca0c90c8 | mp-1188256 | Move the atom at index 7 towards the atom at index 19 by 1.528 angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
MoveTowardsAtomAction | ce7b2d98-47a1-46b2-afc1-97826f9652a3 | mp-1209004 | Move the atom at index 7 towards the atom at index 6 by 1.526 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... |
MoveTowardsAtomAction | c959dab6-e33b-4949-b78d-e9d3cb150ab5 | mp-569221 | Move the atom at index 4 towards the atom at index 5 by 2.652 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 01e34750-9654-40cb-828f-f796b4b584be | mp-1193989 | Move the atom at index 6 towards the atom at index 23 by 1.614 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_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 Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 75fa1981-585b-4626-b160-d39f2377736a | mp-1191504 | Move the atom at index 23 towards the atom at index 2 by 1.452 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | c0b1340a-2e8a-4997-ad8c-eec3ffe9f922 | mp-2647063 | Move the atom at index 7 towards the atom at index 13 by 2.891 angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 9b2abd4b-07b1-46bf-bc38-c43e4c30c427 | mp-697575 | Move the atom at index 1 towards the atom at index 3 by 2.389 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | d78c54ab-f439-421b-b6f0-9dfdefe0c4a4 | mp-1221254 | Move the atom at index 0 towards the atom at index 22 by 1.12 angstrom in the cif file. | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveTowardsAtomAction | 292d8c01-4d39-49d1-9650-c3ab0cf1947f | mp-1518063 | Move the atom at index 6 towards the atom at index 5 by 2.169 angstrom in the cif file. | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
MoveTowardsAtomAction | 9506c20f-96d6-4194-adfe-6dde46709a4f | mp-18672 | Move the atom at index 15 towards the atom at index 2 by 2.254 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... |
MoveTowardsAtomAction | 04a408ac-dfa0-4093-a936-af86defdb6fc | mp-1099676 | Move the atom at index 21 towards the atom at index 6 by 1.904 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... |
MoveTowardsAtomAction | 5557ed25-3f7a-43bf-a4d5-1b7217d80ce8 | mp-674849 | Move the atom at index 1 towards the atom at index 4 by 2.236 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | ec165e37-9f6c-4be3-a3fd-fd92517b6f8d | mp-2231186 | Move the atom at index 5 towards the atom at index 13 by 0.617 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... |
MoveTowardsAtomAction | 0fdada31-30fd-4944-9082-548ff96c48f8 | mp-1188654 | Move the atom at index 0 towards the atom at index 15 by 1.831 angstrom in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
MoveTowardsAtomAction | 83600f81-69de-49cb-b5a1-d320108afb55 | mp-1220278 | Move the atom at index 4 towards the atom at index 20 by 1.569 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... |
MoveTowardsAtomAction | 36739867-231e-40f8-abe7-3cf39be8506b | mp-1196561 | Move the atom at index 65 towards the atom at index 61 by 2.236 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... |
MoveTowardsAtomAction | 101b0b1a-fd7b-41ec-9ed6-18a4fdb9d7f3 | mp-1190979 | Move the atom at index 12 towards the atom at index 13 by 0.271 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... |
MoveTowardsAtomAction | 0fbce795-d15e-4e7e-8849-519d8ea1d379 | mp-2231797 | Move the atom at index 8 towards the atom at index 14 by 0.736 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... |
MoveTowardsAtomAction | 918582c0-6031-4cd7-adba-17193f6278c7 | mp-780492 | Move the atom at index 9 towards the atom at index 3 by 0.142 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... |
MoveTowardsAtomAction | 08c20f5e-0310-4a04-b601-4dd1926af110 | mp-1217308 | Move the atom at index 2 towards the atom at index 30 by 2.643 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... |
MoveTowardsAtomAction | d0372e80-ca51-4dc5-af59-6a7f2fc0c66f | mp-690554 | Move the atom at index 14 towards the atom at index 33 by 2.241 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... |
MoveTowardsAtomAction | 0a5e159e-d95c-4a68-bb3c-7f2a25bd2719 | mp-753310 | Move the atom at index 9 towards the atom at index 10 by 0.77 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... |
MoveTowardsAtomAction | 7fa0a2d4-fa6d-4fa2-bdb5-6d212f582b8c | mp-777904 | Move the atom at index 19 towards the atom at index 21 by 2.89 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... |
MoveTowardsAtomAction | 2a6e6ea0-c746-48fa-8958-13a3f994a166 | mp-1196758 | Move the atom at index 25 towards the atom at index 10 by 2.004 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... |
MoveTowardsAtomAction | ddcfa043-50c4-4d26-b566-6ca1c2c063ae | mp-1045681 | Move the atom at index 77 towards the atom at index 60 by 2.437 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
MoveTowardsAtomAction | 1bb0416f-1588-4eea-b538-dc5dd230e3e4 | mp-1176929 | Move the atom at index 71 towards the atom at index 29 by 2.161 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... |
MoveTowardsAtomAction | eee31bc4-4a91-4746-a73f-2caf69f010ac | mp-31180 | Move the atom at index 8 towards the atom at index 2 by 2.107 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... |
MoveTowardsAtomAction | cea8c40b-6f6f-446b-9b0a-6518c9f4aab6 | mp-510056 | Move the atom at index 0 towards the atom at index 14 by 1.346 angstrom in the cif file. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveTowardsAtomAction | 34a78279-4fe0-4bbe-b641-992abf51e3e3 | mp-774255 | Move the atom at index 7 towards the atom at index 21 by 0.995 angstrom in the cif file. | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... |
MoveTowardsAtomAction | 2953e3ae-6404-432a-9c33-b5063817d3da | mp-11609 | Move the atom at index 4 towards the atom at index 7 by 2.952 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 58e870b0-ff47-4a8b-90ce-ec3db4791816 | mp-680722 | Move the atom at index 54 towards the atom at index 22 by 0.365 angstrom in the cif file. | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... |
MoveTowardsAtomAction | c50bb282-db0e-4ab8-8618-e82ca62972bd | mp-10834 | Move the atom at index 10 towards the atom at index 0 by 0.803 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... |
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