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 |
|---|---|---|---|---|---|
RemoveAtomAction | 88e393fd-0cce-4d2c-8dad-d6c71646a2ea | mp-1216004 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB8Rh7
_chemical_formula_sum "Y1 Th1 B8 Rh7"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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... |
RemoveAtomAction | 8d0dabbb-5f60-46c7-b314-bbd05083ea35 | mp-554501 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os5Cl2O30
_chemical_formula_sum "Ba10 Os5 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... |
RemoveAtomAction | ff63a1e9-932d-4516-97a6-814567eda33b | mp-675818 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | 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 Li10TiAs5
_chemical_formula_sum "Li10 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... |
RemoveAtomAction | 52fbd109-fe47-40e4-9902-ed520828679b | mp-25275 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn3O8
_chemical_formula_sum "Mn3 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... |
RemoveAtomAction | 5be71237-d554-4d5c-bd44-2e8014fa10f2 | mp-561499 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy6Cu2SnS14
_chemical_formula_sum "Dy6 Cu2 Sn1 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... |
RemoveAtomAction | 3230a475-ae5c-44ce-9e28-bf6973467fc8 | mp-554765 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F11
_chemical_formula_sum "Ba1 Sb2 F11"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... |
RemoveAtomAction | b2266084-26fc-4c9e-85eb-8e66e6e6912f | mp-6268 | Remove the atom at index 50 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O39
_chemical_formula_sum "K8 Ti8 P8 O39"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RemoveAtomAction | 3a97d407-7acb-4f61-9a14-cda79d96d6a6 | mp-19459 | Remove the atom at index 28 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K8Mg4V8O27
_chemical_formula_sum "K8 Mg4 V8 O27"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | fbb4688b-97df-42ad-915a-1a1950237be0 | mp-1040196 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg29BO32
_chemical_formula_sum "K1 Mg29 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | c113af8f-b988-482b-8d32-40ee28ce807c | mp-1237028 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K4Ga3P8H8
_chemical_formula_sum "K4 Ga3 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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... |
RemoveAtomAction | 64df99b6-b416-4afe-a172-d173d1a89879 | mp-781617 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... |
RemoveAtomAction | bdce0f2f-9390-4906-9080-f9e9e85eeb30 | mp-1104546 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural CoB6Mo6
_chemical_formula_sum "Co1 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H-... |
RemoveAtomAction | 766b584b-c2e6-43ee-9aae-3b8b7ee34212 | mp-1226141 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co12BP2
_chemical_formula_sum "Co12 B1 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_g... |
RemoveAtomAction | 9ccf3050-56d8-4d13-a6ed-84bebe12e3d5 | mp-675418 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural B3H17N3
_chemical_formula_sum "B3 H17 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... |
RemoveAtomAction | c2531dd0-1eca-4111-91a3-30313f8a2c68 | mp-1095216 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O7
_chemical_formula_sum "Nd2 As2 O7"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... |
RemoveAtomAction | a29dd917-75a3-43ef-9f5a-ee54fdefaa37 | mp-567967 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Ga4I15
_chemical_formula_sum "Li4 Ga4 I15"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
RemoveAtomAction | b432466a-8276-4418-b266-5d923e2e0c8c | mp-772952 | Remove the atom at index 46 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O31
_chemical_formula_sum "Li8 V12 Sn4 O31"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RemoveAtomAction | 4ca282c7-1acf-4b74-876e-8ea3a5c7695d | mp-1196284 | Remove the atom at index 47 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni9
_chemical_formula_sum "U6 Al38 Ni9"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | a6fb6683-057d-47cf-ad97-15222759e43d | mp-1041629 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co7O16
_chemical_formula_sum "Mg4 Co7 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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... |
RemoveAtomAction | 984753d7-831c-4f7b-98fd-f8147abe5abf | mp-766533 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li11Cr3FeP4C4O28
_chemical_formula_sum "Li11 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
RemoveAtomAction | 4524306d-a8fc-49d4-a374-5e284a5e2e69 | mp-1214689 | Remove the atom at index 28 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 Ce8In23Pt8
_chemical_formula_sum "Ce8 In23 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
RemoveAtomAction | 695e92cc-2dbf-4865-a246-52e72e64d740 | mp-764443 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O15
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O15"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... |
RemoveAtomAction | 16a34165-cb7e-4670-a9b5-58c4466ed62f | mp-5794 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O7
_chemical_formula_sum "Zn2 Ga4 O7"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... |
RemoveAtomAction | c400c2ea-9504-484f-a208-2d060ac94f1b | mp-1196179 | Remove the atom at index 55 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S31
_chemical_formula_sum "Tm16 Cr8 S31"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RemoveAtomAction | 4a28b5b6-b45b-4e65-9368-a4c2bd67b99e | mp-779351 | Remove the atom at index 20 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4MnP6H8O21
_chemical_formula_sum "Li4 Mn1 P6 H8 O21"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... |
RemoveAtomAction | bf1ce101-e039-4aaa-884e-a28a14465618 | mp-1518110 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrYCoO6
_chemical_formula_sum "Sr1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... |
RemoveAtomAction | c5293840-b44a-4937-b22b-ef21782f998e | mp-1213985 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2AlSi2O10
_chemical_formula_sum "Ca2 Al1 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_sp... |
RemoveAtomAction | 5ed57a17-8446-4a1d-9771-205fdcf5bf39 | mp-1235973 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O11
_chemical_formula_sum "Li1 Y4 Ag4 O11"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
RemoveAtomAction | b3cac478-2356-4fef-898d-d9db93038a0b | mp-640163 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co7W16C4
_chemical_formula_sum "Co7 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
RemoveAtomAction | 194f93f7-9da6-4a96-80c8-dc3c78233c1e | mp-1101169 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y6Al2O11
_chemical_formula_sum "Y6 Al2 O11"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... |
RemoveAtomAction | c202eab6-98d1-437e-90c5-69dc821cb042 | mp-2230416 | Remove the atom at index 18 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe6O10F
_chemical_formula_sum "Mg1 Fe6 O10 F1"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_s... |
RemoveAtomAction | ef670490-d019-4737-a41a-c6dfb315306a | mp-1096906 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N31
_chemical_formula_sum "Cr16 N31"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... |
RemoveAtomAction | 57a942e0-03d9-4d4e-9b75-2705fd7b5d8b | mp-11726 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni17
_chemical_formula_sum "La2 Si8 Ni17"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
RemoveAtomAction | 4f6158dd-6fab-44c2-b776-5a076226b547 | mp-2222843 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO5
_chemical_formula_sum "K1 Mg1 Ni1 I1 O5"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... |
RemoveAtomAction | 1af8c9d5-e74d-45b2-b0e9-977ae11dd0ba | mp-557340 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge9Pb14O33
_chemical_formula_sum "Ge9 Pb14 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... |
RemoveAtomAction | 24e7309f-290a-4e1e-858b-4c516e3ac9c7 | mp-1181012 | Remove the atom at index 62 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_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 Li16Re24S43
_chemical_formula_sum "Li16 Re24 S43"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RemoveAtomAction | 88cdf40e-861b-4b82-b934-6c0636674a3b | mp-1026568 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsMg13Sb
_chemical_formula_sum "Cs1 Mg13 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... |
RemoveAtomAction | a02aef6c-576a-4914-ae63-d5f16947ffdd | mp-1216955 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4SiNi6
_chemical_formula_sum "U4 Si1 Ni6"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... |
RemoveAtomAction | 37983f4d-e8ba-4a28-adb8-89832788782c | mp-753310 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr2CuO8
_chemical_formula_sum "Li2 Cr2 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... |
RemoveAtomAction | 4e2557f1-a91e-4bb0-8eb7-0f930432e08a | mp-1193845 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al6Cu16
_chemical_formula_sum "Ho6 Al6 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
RemoveAtomAction | 83d3d00c-4a64-401f-8f23-93cf73de9c08 | mp-1176021 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li8Mn2Co5O16
_chemical_formula_sum "Li8 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... |
RemoveAtomAction | d4f02257-3dbc-4b9e-a9c8-b73fc8c88638 | mp-1205633 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs3FeF5
_chemical_formula_sum "Cs3 Fe1 F5"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... |
RemoveAtomAction | 7508ccf0-c004-4bf3-b0a4-254989a9458e | mp-1293179 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li8Co6Ni2O15
_chemical_formula_sum "Li8 Co6 Ni2 O15"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... |
RemoveAtomAction | 9ccd20d8-bcc4-4778-8cf8-962a37fff9eb | mp-1227709 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb5O24
_chemical_formula_sum "Bi2 P6 Pb5 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... |
RemoveAtomAction | c06ba915-094d-4636-a774-7ad1566899be | mp-1520366 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O11
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O11"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... |
RemoveAtomAction | 7e6b4661-ec9c-4cab-b06a-57c9af53d201 | mp-1199158 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm21Sn20
_chemical_formula_sum "Tm21 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... |
RemoveAtomAction | b64c90eb-ef4b-44db-a294-0c4562b2c7c8 | mp-3380 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh3C8
_chemical_formula_sum "La4 Rh3 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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... |
RemoveAtomAction | d502634c-d050-4524-ae96-8b691d50dc7b | mp-704542 | Remove the atom at index 47 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C39Br8O40
_chemical_formula_sum "Ge4 W8 C39 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
RemoveAtomAction | 9216ee17-2b18-47b9-8c93-0ecc2e6c09d3 | mp-1201283 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re4C4N3Cl12O8
_chemical_formula_sum "Re4 C4 N3 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... |
RemoveAtomAction | 11645610-a86b-495d-a1d8-2414059ecf83 | mp-1111088 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF5
_chemical_formula_sum "Na2 Al1 Au1 F5"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
RemoveAtomAction | 2a5df8ed-ac65-4ea1-aa23-d7a7c8d01558 | mp-779589 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb19O56
_chemical_formula_sum "Na12 Sb19 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
RemoveAtomAction | d059de92-9a41-4763-b32c-853a117b790c | mp-1228545 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O12
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O12"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... |
RemoveAtomAction | 59c21f3d-3a4e-4355-8bde-3874a66f8080 | mp-760360 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O5
_chemical_formula_sum "Hf6 N4 O5"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
RemoveAtomAction | 3ae77b94-cfd8-4a2a-93da-60e2f368c3f7 | mp-1220828 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O47F8
_chemical_formula_sum "Nb16 Pb12 O47 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
RemoveAtomAction | fbeaa176-49e7-48a9-a8e4-d749df8db7b5 | mp-1078810 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc3Sn2Au4
_chemical_formula_sum "Sc3 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RemoveAtomAction | 972f3c30-67b8-43bc-9fea-cacc360e1896 | mp-1523308 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | 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 Ba4Sr4Gd4Sb3O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb3 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... |
RemoveAtomAction | 6eae5786-9bd6-4250-ba47-94751fed38b7 | mp-1191291 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br7N4O6
_chemical_formula_sum "Hg4 S2 Br7 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 137e56ae-f12b-460c-9572-69f7d1df1c88 | mp-1101787 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si9
_chemical_formula_sum "La2 Si9"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
_s... |
RemoveAtomAction | caf19951-65fe-4df7-9fdd-8bd05894fc5a | mp-754097 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li7Fe4B4O16
_chemical_formula_sum "Li7 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... |
RemoveAtomAction | e0d1cabe-a2fe-428d-b23f-cb93afe3edad | mp-1105260 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb7In2Ge8Rh2
_chemical_formula_sum "Tb7 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... |
RemoveAtomAction | 94a34971-541c-4553-8638-fce41526cc7f | mp-1192752 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural La2Cl6O13
_chemical_formula_sum "La2 Cl6 O13"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... |
RemoveAtomAction | bd098886-f99e-4c7d-b843-28fba93aa453 | mp-1207428 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As3
_chemical_formula_sum "Zr4 Ni4 As3"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RemoveAtomAction | 062bc936-7c7f-4da3-b6a5-6b1bfbfc60a6 | mp-600078 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si17O36
_chemical_formula_sum "Si17 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
RemoveAtomAction | 0fd4ab6c-3329-459c-a175-790b4459664e | mp-1175936 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li8Mn2Co5O16
_chemical_formula_sum "Li8 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... |
RemoveAtomAction | e90bdc5f-e88b-440b-859b-0ca1db827d89 | mp-779298 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | 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 Mn7O13F3
_chemical_formula_sum "Mn7 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... |
RemoveAtomAction | f669e30d-d38d-411a-b9bd-c6afe1930053 | mp-1201935 | Remove the atom at index 42 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O27
_chemical_formula_sum "K8 P8 H16 O27"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
RemoveAtomAction | 0ad9274a-9f95-45bd-89a1-15b9fdf33a6a | mp-1226365 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF9
_chemical_formula_sum "Cs2 Cu3 Ni1 F9"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028
... |
RemoveAtomAction | 87924052-4f88-4e7d-a228-e125f22380e9 | mp-2309 | Remove the atom at index 18 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm8S11
_chemical_formula_sum "Tm8 S11"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RemoveAtomAction | bf8461c5-8998-4305-930c-e1a462e0a95a | mp-2232505 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_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 Ba2YMgFe2O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe2 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RemoveAtomAction | 1a87ffdb-1c24-4a4c-971d-e2101c037a4f | mp-759828 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O19
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O19"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... |
RemoveAtomAction | 8befa4dd-e554-4a2a-805c-474920f3b094 | mp-684003 | Remove the atom at index 45 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_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 Ti18Fe4B16Ru35
_chemical_formula_sum "Ti18 Fe4 B16 Ru35"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | c42d6cc2-a9b6-4ae6-aece-55ecf4c09283 | mp-1245147 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr15Fe16O48
_chemical_formula_sum "Cr15 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... |
RemoveAtomAction | 5b8321fa-d78f-41ab-bc4d-8c60e5740eaf | mp-532538 | Remove the atom at index 59 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O47
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O47"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... |
RemoveAtomAction | 0249b1fb-a6af-4586-ace2-870ff1c87649 | mp-1044867 | Remove the atom at index 18 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi12O23
_chemical_formula_sum "Bi12 O23"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... |
RemoveAtomAction | 303046cc-6ef8-44f9-bed1-74e6525180e9 | mp-1233685 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural MgCo4P8O27
_chemical_formula_sum "Mg1 Co4 P8 O27"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... |
RemoveAtomAction | 16ea397f-0658-4c41-bafc-beef2df0ce1e | mp-1258846 | Remove the atom at index 44 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn4Zn6Si8O27
_chemical_formula_sum "Mn4 Zn6 Si8 O27"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... |
RemoveAtomAction | ec138432-967b-4d27-9dfc-735a1ad416e4 | mp-1225140 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H13C6N2O12
_chemical_formula_sum "Fe2 H13 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... |
RemoveAtomAction | d587bc13-6404-4b47-a063-2bb74ca05a80 | mp-1026930 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S3
_chemical_formula_sum "Te2 Mo1 W3 Se2 S3"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... |
RemoveAtomAction | 012f458a-0ba9-465b-8260-d30b68a0a576 | mp-756031 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F11
_chemical_formula_sum "Li4 Co4 O2 F11"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... |
RemoveAtomAction | bd070559-24bf-4273-8e9f-79df2297bb82 | mp-9619 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe3P12
_chemical_formula_sum "Th1 Fe3 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
RemoveAtomAction | a2230b13-7cb2-4228-8353-6d4a4f363ec1 | mp-2228606 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2LaMgCu3O6
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O6"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 5755eb5d-010c-4557-a2be-8ab990e111b8 | mp-1223453 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 LaGa5Au3
_chemical_formula_sum "La1 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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... |
RemoveAtomAction | 92c6fca3-2f10-4ea2-b192-63493e6b850d | mp-624221 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | 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 Ge6Rh9
_chemical_formula_sum "Ge6 Rh9"
_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_alt... |
RemoveAtomAction | a0aec3b6-3154-4d5b-9b80-809d1c441b48 | mp-771174 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O19
_chemical_formula_sum "Ba8 B8 O19"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 2f08ba43-c699-41da-9097-9f007532ce29 | mp-1214515 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba11Tm4Al8O30
_chemical_formula_sum "Ba11 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 5ed2b299-abd9-448e-97a1-bfe2baeb48ee | mp-27271 | Remove the atom at index 37 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O27
_chemical_formula_sum "Tl16 Ge10 O27"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... |
RemoveAtomAction | 6aba507d-8f80-41eb-9c1f-0c2906c1d41d | mp-1079670 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural TmSbPb2O5
_chemical_formula_sum "Tm1 Sb1 Pb2 O5"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... |
RemoveAtomAction | cb317c20-367e-43b8-b4b7-aacb55f32c85 | mp-753525 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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_n... | data_image0
_chemical_formula_structural V4O4F11
_chemical_formula_sum "V4 O4 F11"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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_n... |
RemoveAtomAction | 6d9e8b03-57b2-4dfe-8096-15b84a9e1497 | mp-753610 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2CaI8
_chemical_formula_sum "Ba2 Ca1 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
RemoveAtomAction | 5371140a-af9c-4af3-9e86-d6e66be59961 | mp-30276 | Remove the atom at index 33 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl7
_chemical_formula_sum "Ce20 Ga10 Cl7"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... |
RemoveAtomAction | 151a4474-3218-45d8-8eb0-f2f637ff9eaa | mp-887412 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O47
_chemical_formula_sum "Li12 Mn2 V6 P12 O47"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... |
RemoveAtomAction | f77d6265-bef1-4cc4-8968-951d4b5cdc19 | mp-6268 | Remove the atom at index 49 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O39
_chemical_formula_sum "K8 Ti8 P8 O39"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RemoveAtomAction | 01db9c1a-a9a9-46f9-9bfa-c36f8a8d16ee | mp-756993 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O13
_chemical_formula_sum "Li4 Co2 P4 O13"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
RemoveAtomAction | f87fa8e8-ecec-456f-ae9e-7e37ed697b23 | mp-1074681 | Remove the atom at index 10 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si3
_chemical_formula_sum "Mg8 Si3"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... |
RemoveAtomAction | 82f0a5ca-df4f-4a33-89e8-898642aab935 | mp-1329603 | Remove the atom at index 52 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... | data_image0
_chemical_formula_structural Co25Ru5O39
_chemical_formula_sum "Co25 Ru5 O39"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... |
RemoveAtomAction | a91dd60e-10a7-4f01-a11b-97eca7e32699 | mp-1214345 | Remove the atom at index 27 from the cif file. The indices of atoms are started from 0. | 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 Ba2Si24Pt9
_chemical_formula_sum "Ba2 Si24 Pt9"
_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 158.65666674999997
... |
RemoveAtomAction | 5f663745-2e37-48f4-8fc5-0743354e399a | mp-1195020 | Remove the atom at index 24 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se23
_chemical_formula_sum "Pr4 Tl4 P8 Se23"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 78984479-2815-452b-8ea4-465b29436a72 | mp-4068 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Ge4S11
_chemical_formula_sum "Na8 Ge4 S11"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RemoveAtomAction | 9741be7b-37d6-4365-85d2-53e58a93ac6f | mp-17827 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd5Si2Ag2Se14
_chemical_formula_sum "Nd5 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... |
RemoveAtomAction | ae4ffaff-ade7-45a3-a6b6-72b0ddb43dc5 | mp-772788 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 Ba7Cu8O20
_chemical_formula_sum "Ba7 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
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