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 | 255f4827-925a-4c05-a36b-d70976ce9a4b | mp-1198393 | Move the atom at index 42 towards the atom at index 39 by 1.151 angstrom in the cif file. | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 45fb7b16-a0f1-49b0-afbd-94b5c859bb41 | mp-1104062 | Move the atom at index 8 towards the atom at index 5 by 0.637 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 5f240c0e-a756-4f9a-bff8-db12107f6105 | mp-1105449 | Move the atom at index 4 towards the atom at index 7 by 1.244 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 4ddf5231-96c1-45f7-9429-24b355622503 | mp-1246014 | Move the atom at index 16 towards the atom at index 13 by 1.629 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... |
MoveTowardsAtomAction | bc2b2d64-e9e3-4222-9156-905ae3d75370 | mp-1190081 | Move the atom at index 13 towards the atom at index 8 by 1.568 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... |
MoveTowardsAtomAction | 8d6c2749-4e7b-4858-9eb2-6ff49f301a68 | mp-800259 | Move the atom at index 8 towards the atom at index 14 by 2.144 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... |
MoveTowardsAtomAction | 2ffb1bf3-dde0-4d5b-b129-40c8ef8c6800 | mp-1176748 | Move the atom at index 3 towards the atom at index 5 by 2.166 angstrom in the cif file. | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... |
MoveTowardsAtomAction | 4b7023bc-bc2b-4ede-829c-db2542100a95 | mp-1203991 | Move the atom at index 8 towards the atom at index 15 by 0.749 angstrom in the cif file. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... |
MoveTowardsAtomAction | 7f25278e-5d21-483a-ade1-b073dd2b22ed | mp-1204031 | Move the atom at index 18 towards the atom at index 27 by 2.458 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... |
MoveTowardsAtomAction | 760abc9c-75b8-4f77-a828-415b5a64d8a7 | mp-35143 | Move the atom at index 6 towards the atom at index 8 by 1.205 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b02bdf4b-d5fd-4283-bbf9-d9c2f4c7690a | mp-1047596 | Move the atom at index 24 towards the atom at index 18 by 2.616 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveTowardsAtomAction | a2ec87be-154b-4d89-a989-285d0750e951 | mp-1522623 | Move the atom at index 1 towards the atom at index 13 by 1.918 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 5a381387-9def-414d-b8b0-318a6fb83574 | mp-557667 | Move the atom at index 36 towards the atom at index 40 by 0.372 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... |
MoveTowardsAtomAction | 005569c7-bfe4-4f6d-927d-5b77ed40bd65 | mp-1032803 | Move the atom at index 1 towards the atom at index 2 by 1.89 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 916e4a60-5266-43eb-bc25-d32a65e65f10 | mp-1211316 | Move the atom at index 10 towards the atom at index 2 by 2.578 angstrom in the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... |
MoveTowardsAtomAction | e93be936-2d6e-4437-85d1-8cc96968b033 | mp-1247150 | Move the atom at index 27 towards the atom at index 16 by 1.466 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | c3754719-d816-4677-8f80-e6a2786a1dec | mp-1103827 | Move the atom at index 4 towards the atom at index 5 by 2.503 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 33dd055e-1ac0-4e76-953e-1c9c5b91516d | mp-1048365 | Move the atom at index 8 towards the atom at index 6 by 2.255 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... |
MoveTowardsAtomAction | 593e4fe0-b2ac-4aa6-88c6-25cc00f904c5 | mp-1188402 | Move the atom at index 10 towards the atom at index 0 by 0.797 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... |
MoveTowardsAtomAction | 7f55ad2d-51b0-4064-bb55-496c3de8944f | mp-1212423 | Move the atom at index 10 towards the atom at index 12 by 2.738 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... |
MoveTowardsAtomAction | d33babf3-2123-4ce0-80f8-82cd31616c0c | mp-1644899 | Move the atom at index 32 towards the atom at index 26 by 0.422 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveTowardsAtomAction | 5e9b2df5-56ba-40bd-a02e-45ad0f8a921d | mp-1188929 | Move the atom at index 11 towards the atom at index 6 by 0.381 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... |
MoveTowardsAtomAction | 804a0c34-5613-4145-9c67-b43d729b69cf | mp-752456 | Move the atom at index 1 towards the atom at index 9 by 1.189 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveTowardsAtomAction | 4768cce7-d01d-4845-91a0-6a8a16fef5fd | mp-573815 | Move the atom at index 23 towards the atom at index 11 by 1.992 angstrom in the cif file. | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | b89ac902-78b3-4552-9b41-357fbcfe6f54 | mp-568136 | Move the atom at index 7 towards the atom at index 20 by 2.436 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
MoveTowardsAtomAction | da18c77a-d2e0-4fdf-8550-3ca64330dc3b | mp-1217691 | Move the atom at index 8 towards the atom at index 9 by 1.773 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... |
MoveTowardsAtomAction | 379d5d20-25ac-4a10-9f12-c8378374c4f0 | mp-1226415 | Move the atom at index 11 towards the atom at index 9 by 0.746 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... |
MoveTowardsAtomAction | 65416b16-612c-4351-9acf-c57bf549da6e | mp-1336298 | Move the atom at index 34 towards the atom at index 10 by 1.713 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... |
MoveTowardsAtomAction | a3e387fd-7c09-46a6-803f-2944a8fb9740 | mp-759254 | Move the atom at index 66 towards the atom at index 15 by 2.111 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveTowardsAtomAction | ebb1736d-639b-4c51-aee1-4c2c88361279 | mp-1643079 | Move the atom at index 6 towards the atom at index 19 by 1.955 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... |
MoveTowardsAtomAction | 06f706be-732c-4d6f-999f-9886efbb0ac5 | mp-779298 | Move the atom at index 13 towards the atom at index 19 by 0.17 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... |
MoveTowardsAtomAction | f9030885-a8ea-4a75-981e-6fc1bf217c9b | mp-1200095 | Move the atom at index 4 towards the atom at index 2 by 1.179 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 07f1d10c-ddc3-46b8-abee-d32dc1329ac1 | mp-569862 | Move the atom at index 24 towards the atom at index 29 by 2.3 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... |
MoveTowardsAtomAction | c4bd6d8f-d8e4-4d81-b054-fb959fce4c2e | mp-1191974 | Move the atom at index 11 towards the atom at index 22 by 0.186 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... |
MoveTowardsAtomAction | e3e6e1d3-418c-431f-8dd5-1028d61254bc | mp-1192809 | Move the atom at index 24 towards the atom at index 1 by 0.981 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | c74d14f5-34a5-41d7-97b6-5dfdbd1129e2 | mp-779754 | Move the atom at index 53 towards the atom at index 34 by 1.835 angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... |
MoveTowardsAtomAction | 2a036f2a-ff25-4f56-9c7f-0a5752538ed4 | mp-771953 | Move the atom at index 27 towards the atom at index 18 by 1.273 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 62d7e020-e07a-4c26-b02a-59e647617d83 | mp-1021352 | Move the atom at index 7 towards the atom at index 1 by 2.281 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_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 Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | c4dffd32-71a0-4641-acfa-cca515f8f95d | mp-616196 | Move the atom at index 3 towards the atom at index 1 by 2.291 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... |
MoveTowardsAtomAction | 61dd46b1-ffd1-41bb-b247-5742e89afeaa | mp-757370 | Move the atom at index 9 towards the atom at index 23 by 0.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... |
MoveTowardsAtomAction | 6b254b01-58b5-48e3-a3cb-5b7349cc7cb9 | mp-1177530 | Move the atom at index 12 towards the atom at index 1 by 1.908 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... |
MoveTowardsAtomAction | ab422d5d-3160-48bc-b212-93df0c17d602 | mp-1035975 | Move the atom at index 18 towards the atom at index 29 by 0.231 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 | 305400ed-edef-4bd8-b1b7-de1fb4eebf5e | mp-38951 | Move the atom at index 5 towards the atom at index 6 by 2.957 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... |
MoveTowardsAtomAction | de67210a-4413-4e8e-b2fc-7f435e15829f | mp-2227841 | Move the atom at index 11 towards the atom at index 4 by 2.574 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... |
MoveTowardsAtomAction | af5918a2-997f-45a2-af81-57c827dfe20c | mp-1235688 | Move the atom at index 18 towards the atom at index 0 by 1.508 angstrom in the cif file. | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... |
MoveTowardsAtomAction | ea71c1f2-4c0c-4d51-9ecf-fdb638b645a8 | mp-1219272 | Move the atom at index 13 towards the atom at index 26 by 2.825 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveTowardsAtomAction | 4cc1e699-e4d9-44b3-8075-3de8a9e953bf | mp-22575 | Move the atom at index 19 towards the atom at index 7 by 0.799 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 2f93b7d9-cd31-4c87-828e-4ca9fb9291af | mp-1026581 | Move the atom at index 12 towards the atom at index 14 by 2.033 angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 0a8c888a-e711-4d48-a69c-f5fd93d9ca70 | mp-684816 | Move the atom at index 12 towards the atom at index 15 by 0.586 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... |
MoveTowardsAtomAction | 3aaec777-0603-40c1-a6d0-a71f5bb51d6f | mp-1232221 | Move the atom at index 8 towards the atom at index 6 by 2.085 angstrom in the cif file. | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 173ae65e-02d3-4415-b37b-ef6a608d87e9 | mp-1017477 | Move the atom at index 8 towards the atom at index 14 by 0.75 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | e9136e22-2905-48c3-ab44-6619f1a86590 | mp-753255 | Move the atom at index 2 towards the atom at index 12 by 0.321 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... |
MoveTowardsAtomAction | 0c8b1060-3413-4b2c-8cfc-c54823c40d5d | mp-1048964 | Move the atom at index 17 towards the atom at index 37 by 2.633 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | b1bb4071-2413-48e9-81c7-5df246c767c8 | mp-2229308 | Move the atom at index 14 towards the atom at index 2 by 2.763 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... |
MoveTowardsAtomAction | f6e4301f-75f0-4db8-9113-975ea47a58e0 | mp-1029421 | Move the atom at index 6 towards the atom at index 10 by 0.559 angstrom in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... |
MoveTowardsAtomAction | ad342d94-6e68-465d-9ca3-694d923b5858 | mp-1192830 | Move the atom at index 24 towards the atom at index 7 by 2.682 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 053b290d-4f60-4e87-993d-a5ab65c4db58 | mp-558595 | Move the atom at index 18 towards the atom at index 16 by 2.139 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... |
MoveTowardsAtomAction | 1412671b-2d43-4f73-9664-b84cdcc0210d | mp-675770 | Move the atom at index 14 towards the atom at index 6 by 0.405 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... |
MoveTowardsAtomAction | c5feaaca-8da0-4550-b09c-df8a81a7617d | mp-1041539 | Move the atom at index 9 towards the atom at index 12 by 0.504 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... |
MoveTowardsAtomAction | 3495b160-f8a6-4c67-8153-73579ad549d5 | mp-770874 | Move the atom at index 1 towards the atom at index 34 by 2.76 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveTowardsAtomAction | 6bdccebe-6af9-4295-8595-7219f7a9ecd5 | mp-1252807 | Move the atom at index 2 towards the atom at index 16 by 2.533 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... |
MoveTowardsAtomAction | 3f0c47b0-c4e9-47c4-8b3c-eac860b9d69f | mp-752963 | Move the atom at index 16 towards the atom at index 18 by 1.36 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... |
MoveTowardsAtomAction | 6c125b77-1532-439b-b755-62faa1d3cb6d | mp-760650 | Move the atom at index 25 towards the atom at index 6 by 2.981 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... |
MoveTowardsAtomAction | 1f02cfee-050e-4922-8fcb-105aa5913513 | mp-1520689 | Move the atom at index 8 towards the atom at index 4 by 1.334 angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 4fcb3d40-f2bc-4615-b300-69458bf9af12 | mp-753442 | Move the atom at index 11 towards the atom at index 15 by 2.164 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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... |
MoveTowardsAtomAction | f5dbcbc3-4f37-463e-80c4-c3580ac7b9ad | mp-1218036 | Move the atom at index 2 towards the atom at index 19 by 2.429 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... |
MoveTowardsAtomAction | 56329de3-0e2c-426c-9374-dee5e9860495 | mp-696656 | Move the atom at index 9 towards the atom at index 7 by 0.406 angstrom in the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 5de31213-e3c7-4d8c-b503-f701f36bb618 | mp-1224390 | Move the atom at index 5 towards the atom at index 1 by 0.401 angstrom in the cif file. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b8115389-66d4-4714-87e5-ac46107af3b6 | mp-1036209 | Move the atom at index 22 towards the atom at index 17 by 2.075 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | b8cf3827-36e7-4853-8228-eff61e25521c | mp-1023294 | Move the atom at index 13 towards the atom at index 4 by 0.318 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_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 Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | fd2e606d-fec7-4486-8050-0e9b5bac0408 | mp-1411095 | Move the atom at index 1 towards the atom at index 8 by 1.959 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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 Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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 | d284786d-5dc4-4c51-a9b1-e4cdefa8d564 | mp-1179989 | Move the atom at index 9 towards the atom at index 0 by 1.698 angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... |
MoveTowardsAtomAction | 1ac0a897-5889-4709-aa9b-d301c00276cc | mp-1106066 | Move the atom at index 3 towards the atom at index 6 by 2.62 angstrom in the cif file. | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... |
MoveTowardsAtomAction | ec94885d-4f08-4743-8fff-0d0ae098ee3d | mp-975336 | Move the atom at index 0 towards the atom at index 11 by 0.429 angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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... |
MoveTowardsAtomAction | 73ec5663-56dc-42c0-ae23-26e176793149 | mp-624221 | Move the atom at index 3 towards the atom at index 10 by 2.304 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 8ddf799c-4197-4dda-bcf1-1673e8a8f735 | mp-662499 | Move the atom at index 17 towards the atom at index 3 by 1.119 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... |
MoveTowardsAtomAction | 6e8f2df9-79d5-4448-aba1-e91f6e32032e | mp-757606 | Move the atom at index 25 towards the atom at index 5 by 1.428 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveTowardsAtomAction | a7e99f08-954c-415d-a5f5-c30dcac1b69f | mp-1102836 | Move the atom at index 8 towards the atom at index 3 by 2.222 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 | 67abf66b-51c2-4f40-a160-7e4a3a02dd92 | mp-1188838 | Move the atom at index 7 towards the atom at index 15 by 0.301 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 5ef7acdc-f840-426b-a923-fc0e18e12baa | mp-28092 | Move the atom at index 43 towards the atom at index 5 by 0.186 angstrom in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveTowardsAtomAction | 66ac1536-bc09-4d85-abdf-8eb71e638685 | mp-2229854 | Move the atom at index 2 towards the atom at index 10 by 0.449 angstrom in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... |
MoveTowardsAtomAction | 16712a00-e488-4fba-b9b1-8edd55f3b6b2 | mp-1200769 | Move the atom at index 7 towards the atom at index 19 by 0.949 angstrom in the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... |
MoveTowardsAtomAction | 142b3049-284a-42f9-be3d-da72e97cc0c2 | mp-1245678 | Move the atom at index 9 towards the atom at index 38 by 1.46 angstrom in the cif file. | data_image0
_chemical_formula_structural Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_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 Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | fff86e28-203c-47c8-8c0a-cf39c1774da7 | mp-754770 | Move the atom at index 18 towards the atom at index 9 by 2.927 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 7a17e478-e5d0-4bdf-94ba-91e916165ad2 | mp-1225843 | Move the atom at index 62 towards the atom at index 44 by 2.598 angstrom in the cif file. | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... |
MoveTowardsAtomAction | 8036cb28-fc36-413c-a79b-9a6b10ea50e4 | mp-774653 | Move the atom at index 0 towards the atom at index 11 by 2.394 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... |
MoveTowardsAtomAction | 235d2e84-13f0-47de-b49b-1603b2fa6b06 | mp-16623 | Move the atom at index 1 towards the atom at index 6 by 2.584 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... |
MoveTowardsAtomAction | ac892de3-f271-4ed4-861b-14fbdd2434ea | mp-1191448 | Move the atom at index 10 towards the atom at index 12 by 2.327 angstrom in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... |
MoveTowardsAtomAction | 7fd6f979-c47e-427f-8ce1-a90f0643892c | mp-558801 | Move the atom at index 27 towards the atom at index 4 by 2.392 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 41817517-a786-4ca6-9eb1-7a57f61b2964 | mp-1192120 | Move the atom at index 15 towards the atom at index 4 by 1.063 angstrom in the cif file. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... |
MoveTowardsAtomAction | ec3dbbfc-211c-4f97-8730-0b406843892d | mp-1216954 | Move the atom at index 6 towards the atom at index 14 by 0.516 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 | e1eba00e-2fa1-41e7-b51e-c832dddb9400 | mp-1204089 | Move the atom at index 46 towards the atom at index 42 by 2.211 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... |
MoveTowardsAtomAction | 0cee8dfe-551a-40d4-8dea-60c0775fba98 | mp-1193266 | Move the atom at index 25 towards the atom at index 9 by 0.792 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveTowardsAtomAction | 727dd829-0ebd-4437-8708-6086ceac88dd | mp-2228948 | Move the atom at index 0 towards the atom at index 15 by 2.99 angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveTowardsAtomAction | a2059ebd-de2f-49ab-8da7-fdd09949782f | mp-1213259 | Move the atom at index 21 towards the atom at index 36 by 1.449 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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... |
MoveTowardsAtomAction | ad511b71-b7cd-4b70-bff4-5af0435e02cc | mp-1028199 | Move the atom at index 5 towards the atom at index 4 by 0.478 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | ce8b2bd2-f807-4861-b5bd-70fe244ffcd7 | mp-1202393 | Move the atom at index 3 towards the atom at index 27 by 1.065 angstrom in the cif file. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveTowardsAtomAction | 1d40b2b0-60e3-450b-a7b6-f7df1f517bdd | mp-1174755 | Move the atom at index 15 towards the atom at index 9 by 0.769 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... |
MoveTowardsAtomAction | fc9a6066-d4b8-4415-b384-32c68b1d8e25 | mp-1520190 | Move the atom at index 7 towards the atom at index 0 by 2.091 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveTowardsAtomAction | 08a4818b-a3e2-431e-83c4-063acc1f0fec | mp-630329 | Move the atom at index 22 towards the atom at index 28 by 0.837 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
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