action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
MoveAtomAction | ce2fd0df-369f-412e-8d65-ff0812960eda | mp-1073003 | Move the atom at index 6 by [ 2.503 0.248 -1.74 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... |
MoveAtomAction | 7d7ef6bc-398a-49b1-b913-bf0f1a90e5f3 | mp-542864 | Move the atom at index 38 by [3.002 2.806 1.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | d80f2686-6430-4a92-bd07-76c5fca062d8 | mp-554739 | Move the atom at index 31 by [0.6 2.99 1.036] angstrom in the cif file. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 8f3947e0-90d5-484c-8141-137873841aca | mp-557497 | Move the atom at index 29 by [-1.722 -0.49 2.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... |
MoveAtomAction | fc212ee4-42f8-495c-8816-ade7990f5632 | mp-755663 | Move the atom at index 7 by [ 4.139 -1.17 0.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
MoveAtomAction | c317ae38-2846-4b0c-8f17-730e5a335db3 | mp-1331651 | Move the atom at index 23 by [-1.461 -0.507 -0.235] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... |
MoveAtomAction | e3eb6aa5-de7c-48d9-a50d-f21fb74012e8 | mp-27382 | Move the atom at index 41 by [ 1.2 0.442 -5.235] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 7846018b-662f-4355-ab19-0721480253a5 | mp-1046963 | Move the atom at index 9 by [2.541 1.759 3.913] angstrom in the cif file. | data_image0
_chemical_formula_structural BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... |
MoveAtomAction | 13330035-d521-4d75-9148-57d15549f297 | mp-1223525 | Move the atom at index 0 by [-1.564 1.364 3.461] angstrom in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... |
MoveAtomAction | 8f0e77a0-d8ba-4317-815e-408353b29cd1 | mp-780531 | Move the atom at index 40 by [ 1.67 2.904 -2.266] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | cfb6b955-8470-4906-b8ad-6a19c2165a8b | mp-1225501 | Move the atom at index 10 by [-0.261 -1.429 1.481] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... |
MoveAtomAction | caa266c1-e82d-4948-8518-460893d6ffb9 | mp-1214345 | Move the atom at index 13 by [-0.914 -2.077 0.41 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... |
MoveAtomAction | 21c6f435-5ee1-4b8a-8811-4e7b4e93a70d | mp-758514 | Move the atom at index 26 by [2.126 2.473 0.726] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... |
MoveAtomAction | b6369f95-5e15-44ef-bb4a-e0db3d726cd0 | mp-1245175 | Move the atom at index 40 by [ 2.13 -0.248 2.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... |
MoveAtomAction | 0c16d061-3587-45ba-9967-d085590c2f71 | mp-775339 | Move the atom at index 13 by [-0.559 0.135 2.511] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... |
MoveAtomAction | e4f8dd4c-1d0b-400b-9077-c1b416aa58a6 | mp-649415 | Move the atom at index 23 by [-3.158 -1.346 -1.616] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAtomAction | 25fd60be-dd40-419b-b31b-192b403663d2 | mp-21827 | Move the atom at index 4 by [ 0.037 0.921 -0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 558e1223-f054-45ef-bc21-20837ec775ca | mp-1196507 | Move the atom at index 41 by [ 0.271 0.232 -0.075] angstrom in the cif file. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... |
MoveAtomAction | d9c40641-0901-411a-b76d-8ce4128a2429 | mp-1239205 | Move the atom at index 27 by [ 0.292 -0.169 0.596] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveAtomAction | 943c8e3f-b36f-4ae9-9c72-a2954de22c1b | mp-1038443 | Move the atom at index 36 by [ 0.723 -0.588 -3.297] angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 6f26930b-1eb4-4da5-b190-1947bc8849da | mp-1235910 | Move the atom at index 13 by [-0.73 1.879 2.375] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... |
MoveAtomAction | fc747599-194c-4f9f-b3bc-8371562a806a | mp-675818 | Move the atom at index 3 by [ 4.452 0.695 -2.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... |
MoveAtomAction | 2c0fd3aa-2dc5-4ea9-aae8-4ebb8187c642 | mp-678 | Move the atom at index 13 by [-2.706 0.573 -2.024] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... |
MoveAtomAction | 39f4dcbf-7bcc-49fd-b979-c7dc4f080d58 | mp-1218836 | Move the atom at index 2 by [-1.42 -1.857 -0.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... |
MoveAtomAction | 0e7aec9d-14ca-4f19-8ba4-4ea7779a11f0 | mp-21827 | Move the atom at index 27 by [ 1.884 -1.501 -2.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | e5869238-74d8-42a8-ad66-c2bcb19561e7 | mp-20843 | Move the atom at index 5 by [1.453 0.035 2.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... |
MoveAtomAction | 1fa47f1e-4d3b-431b-874e-0b66903b5a4e | mp-1191856 | Move the atom at index 19 by [1.986 0.222 3.619] angstrom in the cif file. | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... |
MoveAtomAction | 1df95e0c-abdc-40fb-9449-a274278bf792 | mp-569776 | Move the atom at index 0 by [ 1.946 -0.991 -1.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | 06018205-28f7-452d-a134-cd4274cf7359 | mp-1204170 | Move the atom at index 3 by [-2.188 -0.908 -4.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... |
MoveAtomAction | d811dd17-5dea-41e0-addc-5d8d5ea854cd | mp-1179595 | Move the atom at index 30 by [ 0.46 -0.944 2.495] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 05999ff4-380c-4a4e-b863-265bb923ce6b | mp-1029491 | Move the atom at index 4 by [-0.498 -0.154 0.2 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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... |
MoveAtomAction | 3e7a5976-ec3a-4daa-99b8-5abc60c6e498 | mp-583615 | Move the atom at index 22 by [1.484 2.158 0.648] angstrom in the cif file. | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... |
MoveAtomAction | 6c15dac4-b3e1-46e6-9bd4-bde04d4eece4 | mp-603241 | Move the atom at index 27 by [-0.126 1.24 -1.577] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... |
MoveAtomAction | d1d0d43a-4e54-40d6-a21b-574b124388c9 | mp-560378 | Move the atom at index 77 by [-1.635 -0.263 -2.314] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_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 Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | c290fcbf-4a66-412b-83f1-1944d28f1d2f | mp-1193265 | Move the atom at index 3 by [-1.27 2.816 -3.371] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 77f68c0f-0a7c-43d0-b1a2-532885c91aba | mp-1205001 | Move the atom at index 31 by [ 0.144 -1.001 -0.456] angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAtomAction | 7fbca0b8-7faa-45c1-aa20-df2a7f246305 | mp-1103158 | Move the atom at index 7 by [ 2.966 -0.567 -1.847] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_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 Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 92d53dfc-8808-4561-a9f9-a06181786333 | mp-757418 | Move the atom at index 12 by [-1.851 0.964 -0.374] angstrom in the cif file. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... |
MoveAtomAction | 1e4cfdcf-94ac-430e-930a-0b4e87eac3f2 | mp-1175318 | Move the atom at index 25 by [-0.227 -0.215 0.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... |
MoveAtomAction | bc3bf6a9-217a-48d9-9427-2670b432896e | mp-774335 | Move the atom at index 28 by [-2.151 -4.602 1.751] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | 2438d2d4-08a6-4bac-9cef-122b08959f61 | mp-1196015 | Move the atom at index 1 by [-2.841 1.073 -0.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | a24af23c-757c-41bf-9bc2-345f25e1e304 | mp-2215121 | Move the atom at index 2 by [ 4.737e+00 -4.000e-03 3.600e-02] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... |
MoveAtomAction | 00f3f457-3a3c-4cff-b782-b5dffae25ef1 | mp-1195795 | Move the atom at index 33 by [-2.933 -1.185 1.969] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
MoveAtomAction | 7b99f389-0db8-45da-ab50-2188cbbbb440 | mp-1173233 | Move the atom at index 3 by [-0.646 -0.594 1.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... |
MoveAtomAction | c2380d84-8989-404b-b1a6-ff61ae9ec9d6 | mp-1175381 | Move the atom at index 24 by [-1.908 1.215 -0.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... |
MoveAtomAction | 117fd166-e816-4460-a620-8d4dc26de72f | mp-1185716 | Move the atom at index 22 by [-2.012e+00 -1.395e+00 -2.000e-03] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... |
MoveAtomAction | 64a03fc0-cde9-4d6f-bb53-63c0b09f17f5 | mp-770394 | Move the atom at index 0 by [-1.957 1.757 -0.853] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... |
MoveAtomAction | 8c3fbdc1-b8a3-4fd3-acfa-184cd4f4b35a | mp-975336 | Move the atom at index 14 by [0.098 0.972 1.394] 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... |
MoveAtomAction | f780c29e-f4fd-4abf-bdda-87f76cdaceee | mp-2460 | Move the atom at index 11 by [ 1.179 -0.12 0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... |
MoveAtomAction | 8f07c68d-7a7a-494e-bab2-89aef2998de4 | mp-4584 | Move the atom at index 11 by [-0.336 -1.555 0.787] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | ea29abf2-1e00-4fe0-86cd-c6577dad28cb | mp-1191148 | Move the atom at index 18 by [-0.977 1.214 4.803] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... | data_image0
_chemical_formula_structural Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... |
MoveAtomAction | dc3150a0-fa1b-410e-8798-5bb84ac5930e | mp-1199432 | Move the atom at index 7 by [ 1.095 -4.447 -0.775] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... |
MoveAtomAction | d9e1f587-b260-4c35-902b-6d734faf5c16 | mp-997515 | Move the atom at index 7 by [-4.052 -0.553 1.2 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... |
MoveAtomAction | c281061f-8570-4fbf-ae76-b2e52d2557c5 | mp-753980 | Move the atom at index 10 by [-6.343 -0.726 1.748] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... |
MoveAtomAction | 04a428b3-3ce0-4470-9091-511ab03118c2 | mp-1022964 | Move the atom at index 13 by [ 2.292 -2.585 -2.075] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveAtomAction | 473a150b-063a-43a8-97e4-787e9cf70c2d | mp-1214614 | Move the atom at index 51 by [-0.407 -1.994 1.474] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_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 Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | b8243a16-ad6c-4d87-af58-9caa7ad6af45 | mp-2713621 | Move the atom at index 6 by [-2.279 -0.984 -3.499] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveAtomAction | 13733796-f5a5-479f-a84c-dcdcd22a6fae | mp-1359845 | Move the atom at index 30 by [1.941 0.74 1.395] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... |
MoveAtomAction | 97d5d70a-c99c-4e53-9668-4b71e31462cb | mp-1189731 | Move the atom at index 3 by [-2.307 -0.321 -1.402] angstrom in the cif file. | data_image0
_chemical_formula_structural P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAtomAction | ae7bb083-8019-4f0c-a60b-7099315cb756 | mp-545404 | Move the atom at index 10 by [0.851 1.173 3.148] angstrom in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... |
MoveAtomAction | 6d7fd677-ccdd-4f23-91e9-78904b71739b | mp-1200624 | Move the atom at index 29 by [1.303 0.583 1.989] angstrom in the cif file. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... |
MoveAtomAction | 5305cadf-867d-4ef8-bc6f-94998d42cc2c | mp-630329 | Move the atom at index 30 by [2.755 2.902 0.003] 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... |
MoveAtomAction | 2887887b-e0e8-4fcf-bea5-d667742626de | mp-1174059 | Move the atom at index 13 by [-0.716 1.446 -0.512] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... |
MoveAtomAction | 696403d1-aa2a-4fe7-8922-9084e5b5b889 | mp-1190647 | Move the atom at index 21 by [0.198 0.118 0.124] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 4026badb-9a70-4cf4-ba15-b1b1a3c110a7 | mp-753124 | Move the atom at index 0 by [ 1.4 0.519 -0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... |
MoveAtomAction | 81ef2041-6f9b-4c8b-9f14-817db75f4142 | mp-1196133 | Move the atom at index 46 by [ 1.599 1.459 -1.873] angstrom in the cif file. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | a8b048b0-a231-4697-b870-26de00613a68 | mp-24402 | Move the atom at index 34 by [-0.357 1.273 2.493] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 7931842d-aa66-4a1c-80c7-6ed4ca609c74 | mp-1020590 | Move the atom at index 0 by [-0.641 -1.94 -1.519] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_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 Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
MoveAtomAction | f0a8db59-2bf2-4ea2-a94c-eea9bccec262 | mp-22385 | Move the atom at index 11 by [ 2.143 2.059 -1.225] angstrom in the cif file. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... |
MoveAtomAction | 17233ac3-8246-4941-a8d1-95fbffd27906 | mp-26198 | Move the atom at index 23 by [-2.692 -1.511 1.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... | data_image0
_chemical_formula_structural Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... |
MoveAtomAction | af6a7a27-7983-4877-9edb-ec9c2a417548 | mp-774670 | Move the atom at index 8 by [ 1.678 -0.295 0.934] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... |
MoveAtomAction | ed696d42-2fdc-485f-9152-3cb50b6fc4a8 | mp-1522640 | Move the atom at index 7 by [ 0.465 -0.326 2.382] angstrom in the cif file. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveAtomAction | 5c249b51-eed6-4f15-8956-9fbc25fe2846 | mp-29185 | Move the atom at index 10 by [-0.007 0.553 -1.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... |
MoveAtomAction | 3d92cfc7-f869-416c-a880-14866489d47b | mp-752533 | Move the atom at index 10 by [0.98 3.319 0.646] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... |
MoveAtomAction | 8a25f1fb-453a-4d58-a54e-fffae16b0c04 | mp-1105286 | Move the atom at index 7 by [-1.045 2.182 -0.374] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... |
MoveAtomAction | bbb47bfd-0fc0-4501-a67f-a2a133d5dcc0 | mp-26228 | Move the atom at index 21 by [ 0.869 -4.59 0.631] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... |
MoveAtomAction | 213fc5a3-d65c-40a8-8655-70a9eea189f6 | mp-1209131 | Move the atom at index 24 by [-2.808 -3.514 -3.076] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | f77bd13b-0c25-4e23-8e84-d76c2f3e55b1 | mp-1218859 | Move the atom at index 29 by [-3.924 0.158 -2.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... |
MoveAtomAction | aaab1eb5-4a80-492f-9135-92e8bde61394 | mp-26118 | Move the atom at index 59 by [-0.421 2.598 1.981] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | 98bff376-02dd-4f26-b71e-d3a6ffe2e138 | mp-1192151 | Move the atom at index 14 by [ 1.656 0.89 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
MoveAtomAction | 2e736c74-fc84-4ab6-ba4a-9f06a34b5ae7 | mp-849991 | Move the atom at index 61 by [ 1.093 -0.909 -5.177] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 36fe7e3b-fc46-4b01-b22d-d23fb673b405 | mp-2228948 | Move the atom at index 2 by [-5.689 1.262 -0.773] 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... |
MoveAtomAction | 3aa89f86-fae4-4934-9e32-94cd6e3f2229 | mp-1218930 | Move the atom at index 18 by [ 1.594 -4.162 0.341] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... |
MoveAtomAction | 14f72d2b-7064-48cd-ae3f-697f95a3b406 | mp-1212542 | Move the atom at index 39 by [ 1.917 -3.481 0.194] angstrom in the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... |
MoveAtomAction | f316bb0f-da12-48ab-98a0-b8742322f4ae | mp-1106213 | Move the atom at index 7 by [-0.955 -1.205 -1.412] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | deb0c0ba-dbca-4250-8d96-898d276c87e4 | mp-26553 | Move the atom at index 7 by [-2.507 2.354 -0.699] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... |
MoveAtomAction | ea5c28ee-c75f-436a-8910-c61304aab3e3 | mp-1195825 | Move the atom at index 3 by [-1.909 -2.477 -1.632] angstrom in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... |
MoveAtomAction | 99022ec2-811b-4a2e-a03e-2e0831b64e89 | mp-556173 | Move the atom at index 48 by [-3.477 -1.888 -1.841] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... |
MoveAtomAction | 5eb76a11-9181-4405-8999-d092d52da846 | mp-1205485 | Move the atom at index 6 by [-0.558 -0.139 1.186] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveAtomAction | 85f9f74b-e38d-491b-aab2-3fff41f7ba2c | mp-1245698 | Move the atom at index 13 by [-2.803 0.065 -0.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveAtomAction | b2d61c92-4fba-4b15-99cc-33e1ea2848d1 | mp-1340075 | Move the atom at index 4 by [0.764 0.767 0.728] angstrom in the cif file. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... |
MoveAtomAction | 63306ae4-9103-4ac3-9dbf-fa52d0c5f112 | mp-1201234 | Move the atom at index 4 by [ 0.709 1.39 -0.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAtomAction | ed068aef-e36b-4105-8303-d8cc91e32f64 | mp-1173581 | Move the atom at index 8 by [-2.043 0.9 -3.642] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 9f210b4e-8789-4855-97c2-7bd23f935911 | mp-557500 | Move the atom at index 4 by [-1.218 -1.649 0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... |
MoveAtomAction | a7c30b5a-95cc-4e8f-bf25-081353721e40 | mp-1214002 | Move the atom at index 5 by [-0.383 -0.77 0.629] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... |
MoveAtomAction | 68fc400d-1159-4be1-a7c0-abd7a753b292 | mp-1523308 | Move the atom at index 6 by [1.928 1.564 4.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 952a5787-5485-4610-aa8f-5cd8371145e1 | mp-566278 | Move the atom at index 3 by [-0.341 -2.467 0.162] angstrom in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
MoveAtomAction | 131bd6df-ea8b-4498-8b62-a2c3441da3e1 | mp-849652 | Move the atom at index 5 by [2.102 3.438 2.601] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... |
MoveAtomAction | 23f4d908-8cf9-479f-90fb-1b67aea91dbe | mp-1103082 | Move the atom at index 7 by [-2.577 2.311 -1.779] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... |
MoveAtomAction | c5c3d62a-d7ff-44b7-832f-c104423391dc | mp-554185 | Move the atom at index 90 by [-0.713 -3.546 -1.972] angstrom in the cif file. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... |
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