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 | aa412fa2-2a1e-43ff-9228-349063095de6 | mp-767746 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe2O16
_chemical_formula_sum "Li12 Mn2 Fe2 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... |
RemoveAtomAction | bd5e0b63-7bad-48ea-ab8e-61cf9898cd86 | mp-1200969 | Remove the atom at index 50 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O39
_chemical_formula_sum "B12 Pb12 N4 O39"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RemoveAtomAction | 90b91cea-2d15-4ae6-8183-d99ae23cd89d | mp-1197716 | Remove the atom at index 40 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8Cu8Si16O47
_chemical_formula_sum "Ba8 Cu8 Si16 O47"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... |
RemoveAtomAction | 964af8ab-a90f-45b3-bcc0-0576a9712692 | mp-753628 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F11
_chemical_formula_sum "Li2 V2 F11"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 1b6febdc-effb-4f5a-91e9-b12f5143c911 | mp-1239137 | Remove the atom at index 55 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr8Cr8Cu8S31
_chemical_formula_sum "Zr8 Cr8 Cu8 S31"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RemoveAtomAction | 657fac99-6e17-4e4d-899a-83834db4d861 | mp-1211877 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O15
_chemical_formula_sum "K4 P2 H6 Se2 O15"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 56c919d2-51f9-4512-bf39-9fa1465e6de9 | mp-555576 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2Na2S4O13
_chemical_formula_sum "K2 Na2 S4 O13"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... |
RemoveAtomAction | 4dd87067-cddd-4859-a749-d991cb105af8 | mp-1113179 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgF6
_chemical_formula_sum "Cs2 Hg1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
RemoveAtomAction | 4b10ff00-3c08-4d2a-b78a-01b7c7175950 | mp-19140 | Remove the atom at index 30 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O15
_chemical_formula_sum "K12 Mn4 O15"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... |
RemoveAtomAction | dc9bf5a7-96a2-4f3f-a9d3-7ab7ae4b33ce | mp-9619 | Remove the atom at index 8 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 ThFe4P11
_chemical_formula_sum "Th1 Fe4 P11"
_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 | 6033df82-9b6d-4151-b363-1b7f25cbfebe | mp-1099764 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ta4O10
_chemical_formula_sum "K4 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... | data_image0
_chemical_formula_structural K3Ta4O10
_chemical_formula_sum "K3 Ta4 O10"
_cell_length_a 9.00318401
_cell_length_b 9.00318401
_cell_length_c 9.00318401
_cell_angle_alpha 142.81336667
_cell_angle_beta 142.66744489
_cell_angle_gamma 53.71515557
_space_group_name_... |
RemoveAtomAction | 0d9aac9f-1611-40f5-87a3-ca1b83f77357 | mp-699431 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H7Se4O16
_chemical_formula_sum "Al2 H7 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
RemoveAtomAction | 710b0555-9eef-40b1-a6fe-6db33797a068 | mp-1357359 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Sb4As4O20
_chemical_formula_sum "Mg4 Sb4 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 Mg4Sb3As4O20
_chemical_formula_sum "Mg4 Sb3 As4 O20"
_cell_length_a 7.267013
_cell_length_b 7.291066
_cell_length_c 8.831991
_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 | 70351d3d-78a4-4767-90f3-723ddcc10904 | mp-1218770 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2NdSmMn4O12
_chemical_formula_sum "Sr2 Nd1 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502... | data_image0
_chemical_formula_structural Sr2SmMn4O12
_chemical_formula_sum "Sr2 Sm1 Mn4 O12"
_cell_length_a 5.51174067
_cell_length_b 5.511740669999999
_cell_length_c 7.7975271500000005
_cell_angle_alpha 89.5560347
_cell_angle_beta 89.5560347
_cell_angle_gamma 89.502676050... |
RemoveAtomAction | 6cdb41d2-21e9-4569-a853-1785871b0644 | mp-2219204 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb2MgV2O8
_chemical_formula_sum "Tb2 Mg1 V2 O8"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... | data_image0
_chemical_formula_structural Tb2MgV2O7
_chemical_formula_sum "Tb2 Mg1 V2 O7"
_cell_length_a 6.1041527
_cell_length_b 6.1041533900000005
_cell_length_c 6.24702455
_cell_angle_alpha 105.99154206
_cell_angle_beta 105.9915478
_cell_angle_gamma 115.70602638
_space_... |
RemoveAtomAction | 75d6ff57-2bbe-4313-b97d-9ab17d9e1fe3 | mp-1201827 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs13Nb2In6As10
_chemical_formula_sum "Cs13 Nb2 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_gro... | data_image0
_chemical_formula_structural Cs13NbIn6As10
_chemical_formula_sum "Cs13 Nb1 In6 As10"
_cell_length_a 9.922238
_cell_length_b 9.97488215
_cell_length_c 14.2638583
_cell_angle_alpha 83.22926099
_cell_angle_beta 80.51304732
_cell_angle_gamma 64.6167565
_space_grou... |
RemoveAtomAction | a20ef807-3f11-4eed-972a-58e812e59919 | mp-1200944 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr20Si12N36
_chemical_formula_sum "Pr20 Si12 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr20Si11N36
_chemical_formula_sum "Pr20 Si11 N36"
_cell_length_a 7.78838711
_cell_length_b 7.78838711
_cell_length_c 16.011699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.78336765
_space_group_name_H-M_alt ... |
RemoveAtomAction | c1856a48-51c8-4f46-87d2-ad11f3b66701 | mp-754454 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O7
_chemical_formula_sum "Cd2 Ag4 O7"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
RemoveAtomAction | fc5c6e32-3271-45c0-856d-e6112a296458 | mp-1205853 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au3
_chemical_formula_sum "Nd4 In2 Au3"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 | e2ba10d4-1ef2-4896-bc2b-ebe23d33ecb0 | mp-1197620 | Remove the atom at index 41 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se35
_chemical_formula_sum "K12 As4 P12 Se35"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
RemoveAtomAction | 3e1ff13a-d0b8-45b8-b1ac-b127ed10197c | mp-862605 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb3Zr6CCl18
_chemical_formula_sum "Rb3 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... |
RemoveAtomAction | a35972db-3b56-489f-a4a4-c74ec45bc046 | mp-1376805 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5F11
_chemical_formula_sum "Li3 Fe5 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_name_... |
RemoveAtomAction | 380016ac-e170-411a-9a14-c79b96f02ee0 | mp-600520 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2CuH8C8O16
_chemical_formula_sum "Sr2 Cu1 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 6b032cc6-db07-43d5-a8fe-ca1c3cc8dcc6 | mp-1079383 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce3In2Cu4
_chemical_formula_sum "Ce3 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | 7d976568-7ead-4881-8466-7209be89f3ab | mp-1245832 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Cu4N4
_chemical_formula_sum "Ca4 Cu4 N4"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... | data_image0
_chemical_formula_structural Ca4Cu4N3
_chemical_formula_sum "Ca4 Cu4 N3"
_cell_length_a 8.91002794
_cell_length_b 3.83720965
_cell_length_c 6.75468884
_cell_angle_alpha 89.99999708
_cell_angle_beta 110.05152432999999
_cell_angle_gamma 77.56504692
_space_group_... |
RemoveAtomAction | 6cae132d-a0dc-4fda-9ed2-b93b11e27547 | mp-1210244 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr45Mg8Pt14
_chemical_formula_sum "Pr45 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... |
RemoveAtomAction | 76ad9091-8ea4-4415-b05f-416bf317b902 | mp-1215754 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti5Si6
_chemical_formula_sum "Zr4 Ti5 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
RemoveAtomAction | f2d633b9-d24b-4472-a3c9-a63b4979c636 | mp-1195048 | Remove the atom at index 33 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O29
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O29"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... |
RemoveAtomAction | c8c2b630-3ac5-4193-b627-8101842ccf0b | mp-2224471 | Remove the atom at index 30 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe4P12O36
_chemical_formula_sum "Mg1 Fe4 P12 O36"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... | data_image0
_chemical_formula_structural MgFe4P12O35
_chemical_formula_sum "Mg1 Fe4 P12 O35"
_cell_length_a 8.59775702
_cell_length_b 8.67828602
_cell_length_c 8.84301149
_cell_angle_alpha 89.70753084
_cell_angle_beta 90.84395481
_cell_angle_gamma 90.52704608
_space_group... |
RemoveAtomAction | 43aacaa2-b85f-4014-856d-3a75d0249150 | mp-1226598 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh2O8
_chemical_formula_sum "Ce1 Th2 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... |
RemoveAtomAction | 07e6718e-5525-4b20-89f4-6c3b9e6ca466 | mp-1180291 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O17
_chemical_formula_sum "Mn1 Fe2 P2 O17"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
RemoveAtomAction | ca6ccffe-8f9c-4bfe-8610-20b22777c481 | mp-1096906 | Remove the atom at index 5 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 Cr15N32
_chemical_formula_sum "Cr15 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... |
RemoveAtomAction | 64c9e65f-0f73-454b-9166-9eddf249e48c | mp-754319 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3Ni4O8
_chemical_formula_sum "Li3 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000001
_... |
RemoveAtomAction | 7c1317f2-3fc7-4731-adb4-30a6237cd3ce | mp-1195192 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3Tb3H6S6O27
_chemical_formula_sum "Na3 Tb3 H6 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3Tb3H5S6O27
_chemical_formula_sum "Na3 Tb3 H5 S6 O27"
_cell_length_a 6.980523
_cell_length_b 6.98052253
_cell_length_c 12.797699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999747000001
_space_group_name_... |
RemoveAtomAction | 7e40ab21-994c-4570-9d3b-4ca9b28bb866 | mp-1247343 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N11
_chemical_formula_sum "Ca10 Ti4 N11"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
RemoveAtomAction | ef141603-9505-406c-a9cf-e79f3b7e0a69 | mp-645158 | Remove the atom at index 12 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Mn4O12
_chemical_formula_sum "La4 Mn4 O12"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Mn4O11
_chemical_formula_sum "La4 Mn4 O11"
_cell_length_a 10.297857
_cell_length_b 5.674393
_cell_length_c 6.043189749999999
_cell_angle_alpha 70.70900253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 1bb51816-0d83-4d09-95ba-efcba9433b16 | mp-1226695 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2H30Br4N12O4
_chemical_formula_sum "Co2 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_... | data_image0
_chemical_formula_structural CoH30Br4N12O4
_chemical_formula_sum "Co1 H30 Br4 N12 O4"
_cell_length_a 6.9257375
_cell_length_b 6.84391893
_cell_length_c 11.04345546
_cell_angle_alpha 86.0682391
_cell_angle_beta 85.75641914
_cell_angle_gamma 80.75787772
_space_g... |
RemoveAtomAction | d10a0ffb-7677-4253-9d66-bfe525bbcf97 | mp-1028731 | Remove the atom at index 1 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2W4Se6
_chemical_formula_sum "Te2 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-... | data_image0
_chemical_formula_structural TeW4Se6
_chemical_formula_sum "Te1 W4 Se6"
_cell_length_a 3.38041365
_cell_length_b 3.3804136500000004
_cell_length_c 38.560445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999322999999
_space_group_name_H-M... |
RemoveAtomAction | 444fcbff-7c3c-4a8b-871b-d7e40867b0bf | mp-1239127 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 Hf3Cr4Cu4S16
_chemical_formula_sum "Hf3 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 | eb28a988-a01f-4fd2-aef1-8cf3f4675aa8 | mp-997587 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La7ScAl8O24
_chemical_formula_sum "La7 Sc1 Al8 O24"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 La7ScAl8O23
_chemical_formula_sum "La7 Sc1 Al8 O23"
_cell_length_a 7.570756
_cell_length_b 7.570756
_cell_length_c 7.570756
_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 | c2962dc3-87f0-4e74-b5f8-7229399096c5 | mp-23013 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural U4Cl8O7
_chemical_formula_sum "U4 Cl8 O7"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
RemoveAtomAction | 6ce44935-df80-4bc7-ba6b-b69a9f403658 | mp-1103810 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Y5Al2C6
_chemical_formula_sum "Y5 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
RemoveAtomAction | c45fe3e5-3842-495d-8792-599d20a05a13 | mp-1210328 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni2P4O20
_chemical_formula_sum "Ni2 P4 O20"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni2P4O19
_chemical_formula_sum "Ni2 P4 O19"
_cell_length_a 9.553455
_cell_length_b 5.181696
_cell_length_c 8.57377695
_cell_angle_alpha 56.20746677999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RemoveAtomAction | da4644eb-8a00-4b97-bd37-eac1b295a664 | mp-759150 | Remove the atom at index 19 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F7
_chemical_formula_sum "Li4 V4 O4 F7"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... |
RemoveAtomAction | ab244839-c523-4e19-9bd4-ffe30fcab33a | mp-1017159 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 Rb2Mg11C2
_chemical_formula_sum "Rb2 Mg11 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 | 22af21d3-50b8-4fb0-82b4-731d08304caf | mp-2240405 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O5
_chemical_formula_sum "Mg1 Mn2 Ag2 O5"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
RemoveAtomAction | 39cdb1e4-458e-4c19-900e-5c227004e931 | mp-1289597 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B3O12
_chemical_formula_sum "Mn4 B3 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... |
RemoveAtomAction | 83d3b511-a476-48b6-a2c1-155a57c1e2d3 | mp-1208931 | Remove the atom at index 0 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2ErCu2Bi2O8
_chemical_formula_sum "Sr2 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.91368... | data_image0
_chemical_formula_structural SrErCu2Bi2O8
_chemical_formula_sum "Sr1 Er1 Cu2 Bi2 O8"
_cell_length_a 15.46020447
_cell_length_b 15.460204469999999
_cell_length_c 15.46020447
_cell_angle_alpha 165.95452037
_cell_angle_beta 165.95452037
_cell_angle_gamma 19.913688... |
RemoveAtomAction | 54db1016-d852-4689-b305-bc824a0177ed | mp-1520897 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO5
_chemical_formula_sum "Sr2 Cr1 Bi1 O5"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
RemoveAtomAction | a2d82bf1-8a9a-45fc-8bea-3c6c31e0ce50 | mp-1106214 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu6Ge6Pd6
_chemical_formula_sum "Lu6 Ge6 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... | data_image0
_chemical_formula_structural Lu6Ge5Pd6
_chemical_formula_sum "Lu6 Ge5 Pd6"
_cell_length_a 11.2242062
_cell_length_b 11.2242062
_cell_length_c 11.2242062
_cell_angle_alpha 157.54988981
_cell_angle_beta 140.37210418999996
_cell_angle_gamma 46.01936493
_space_gro... |
RemoveAtomAction | d432ab05-d7cc-40e9-9cb3-7e504fb040e3 | mp-1076627 | Remove the atom at index 16 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O19
_chemical_formula_sum "Sr8 Ti4 Mn4 O19"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... |
RemoveAtomAction | 0a8cc45b-8431-4aec-a51b-f1e484f14e61 | mp-1027627 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S3
_chemical_formula_sum "Te2 Mo4 Se2 S3"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
RemoveAtomAction | dbd7f028-48cd-49cb-91ea-ece47ee2c9cf | mp-1236250 | Remove the atom at index 9 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO7
_chemical_formula_sum "Li1 Co5 Sb1 O7"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... |
RemoveAtomAction | 8c033b49-db92-4270-8309-f9c60670a400 | mp-734319 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Fe4H16Cl12O8
_chemical_formula_sum "Rb4 Fe4 H16 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_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 Rb4Fe4H15Cl12O8
_chemical_formula_sum "Rb4 Fe4 H15 Cl12 O8"
_cell_length_a 7.040363
_cell_length_b 8.988614
_cell_length_c 11.436915
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RemoveAtomAction | acddc9a3-5ca5-4c2f-8ef1-25d7cca407c5 | mp-780891 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe7O14F2
_chemical_formula_sum "Fe7 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... |
RemoveAtomAction | c789a556-d6dc-4ef8-a5b8-1aebdc5a7922 | mp-1201935 | Remove the atom at index 5 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 K7P8H16O28
_chemical_formula_sum "K7 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... |
RemoveAtomAction | add9ad55-1732-4292-a9ed-387173e81332 | mp-1246907 | Remove the atom at index 17 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N7
_chemical_formula_sum "Sr6 Co4 N7"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... |
RemoveAtomAction | 29cc5144-3dc2-4923-91c1-ff9fa96ddd3b | mp-1180875 | Remove the atom at index 29 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O31
_chemical_formula_sum "Mn2 N12 O31"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | c9b06c96-833f-4208-9530-367b29875dc4 | mp-1247342 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24V8N16
_chemical_formula_sum "Li24 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... | data_image0
_chemical_formula_structural Li23V8N16
_chemical_formula_sum "Li23 V8 N16"
_cell_length_a 8.34245324
_cell_length_b 9.63303509
_cell_length_c 9.63303547
_cell_angle_alpha 90.00000096
_cell_angle_beta 125.26438879
_cell_angle_gamma 54.73560962
_space_group_name... |
RemoveAtomAction | f80f27ce-4f1f-416a-8d27-438c5375f8c4 | mp-705551 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe14O16
_chemical_formula_sum "Fe14 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... |
RemoveAtomAction | 58b5d3e3-ab6c-4e83-bd69-ddc3bd597865 | mp-580327 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd6Al4Ni12
_chemical_formula_sum "Gd6 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... | data_image0
_chemical_formula_structural Gd5Al4Ni12
_chemical_formula_sum "Gd5 Al4 Ni12"
_cell_length_a 7.7155987
_cell_length_b 7.71560592
_cell_length_c 7.71561356
_cell_angle_alpha 109.44377817
_cell_angle_beta 109.4436389
_cell_angle_gamma 109.52528551000002
_space_gr... |
RemoveAtomAction | 24976eee-282a-44ff-9de4-e440b8dc2129 | mp-570469 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr10Tl6
_chemical_formula_sum "Pr10 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_nam... | data_image0
_chemical_formula_structural Pr9Tl6
_chemical_formula_sum "Pr9 Tl6"
_cell_length_a 6.36229245
_cell_length_b 9.514886500000001
_cell_length_c 9.51492551
_cell_angle_alpha 83.59895496
_cell_angle_beta 70.46806593
_cell_angle_gamma 70.46798067
_space_group_name_... |
RemoveAtomAction | 1f32d1a1-0837-49b2-a762-684240d64160 | mp-755245 | Remove the atom at index 11 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O7
_chemical_formula_sum "Li2 Cu2 P2 O7"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... |
RemoveAtomAction | b692c89d-d393-4a95-a7a5-0b66bcbbeec5 | mp-1523147 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO5
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O5"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
RemoveAtomAction | d8388a38-6ec8-4278-b50a-eddd59eb8e7a | mp-1037735 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YMg30VO32
_chemical_formula_sum "Y1 Mg30 V1 O32"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 YMg30VO31
_chemical_formula_sum "Y1 Mg30 V1 O31"
_cell_length_a 8.622251
_cell_length_b 8.622251
_cell_length_c 8.636474
_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 | 0bc6d6d8-6747-4ec8-bfe5-565b8cf3d32c | mp-1217721 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb5Al8Fe4
_chemical_formula_sum "Tb5 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... |
RemoveAtomAction | ca3a4881-a76b-4c94-b47b-38963306cf36 | mp-1096957 | Remove the atom at index 71 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N47
_chemical_formula_sum "Cr24 N47"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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... |
RemoveAtomAction | 507cc3a7-8b1f-4982-9b6b-bea034a7e093 | mp-558751 | Remove the atom at index 48 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O31
_chemical_formula_sum "Ca8 Bi16 O31"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... |
RemoveAtomAction | 3d6ba68b-13f8-4e5f-bbeb-ca8cc98bc441 | mp-1185731 | Remove the atom at index 21 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl11
_chemical_formula_sum "Mg16 Sc1 Al11"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... |
RemoveAtomAction | 0993fdbc-351d-4794-b937-2210b975bf3f | mp-6488 | Remove the atom at index 57 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Ti8As8O40
_chemical_formula_sum "K8 Ti8 As8 O40"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 K8Ti8As8O39
_chemical_formula_sum "K8 Ti8 As8 O39"
_cell_length_a 6.680827
_cell_length_b 10.926278
_cell_length_c 13.349936
_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 | de45a7ff-224f-4172-bea7-3ddeac6fdffc | mp-1198520 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu8S2O24
_chemical_formula_sum "Cu8 S2 O24"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cu8S2O23
_chemical_formula_sum "Cu8 S2 O23"
_cell_length_a 5.194531
_cell_length_b 5.88042304
_cell_length_c 14.122911279999999
_cell_angle_alpha 93.28651424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RemoveAtomAction | 6a73ff21-abdf-4494-b554-b18cf4f5a3c9 | mp-757107 | Remove the atom at index 13 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O13
_chemical_formula_sum "Li4 Fe4 Si4 O13"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... |
RemoveAtomAction | fc6d5b0c-1217-4a49-bba1-8fa98eccd77a | mp-1106293 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Zr4O12
_chemical_formula_sum "Eu4 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... | data_image0
_chemical_formula_structural Eu3Zr4O12
_chemical_formula_sum "Eu3 Zr4 O12"
_cell_length_a 5.74546581
_cell_length_b 5.84474033
_cell_length_c 8.1659234
_cell_angle_alpha 90.0000538
_cell_angle_beta 90.0001131
_cell_angle_gamma 90.00000107
_space_group_name_H-M... |
RemoveAtomAction | 50952659-4bf2-4ba7-98ac-5df671a13f6c | mp-1667139 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na3Li8Fe4P4C4O28
_chemical_formula_sum "Na3 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... |
RemoveAtomAction | 2b316a5d-7d8b-409a-a3c8-c7527fd54c10 | mp-1197452 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C19O8
_chemical_formula_sum "Ni4 P4 C19 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... |
RemoveAtomAction | 3e7ae84a-4373-4c4a-b7de-969a13423074 | mp-1047 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca5N4
_chemical_formula_sum "Ca5 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... |
RemoveAtomAction | ef7efdee-cb4a-403a-8dbb-414004eff22b | mp-695955 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P6H22N8O18
_chemical_formula_sum "P6 H22 N8 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... | data_image0
_chemical_formula_structural P6H22N7O18
_chemical_formula_sum "P6 H22 N7 O18"
_cell_length_a 8.034132
_cell_length_b 8.26015182
_cell_length_c 8.52604156
_cell_angle_alpha 78.17442647
_cell_angle_beta 75.33512221
_cell_angle_gamma 86.16244251999998
_space_grou... |
RemoveAtomAction | f0b9699c-1046-4c69-ac93-5f8ea26839a0 | mp-676665 | Remove the atom at index 31 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O23
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O23"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
RemoveAtomAction | c39dc96f-c355-4f2b-9640-dcc780d5bbca | mp-1193985 | Remove the atom at index 23 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B5
_chemical_formula_sum "Ta2 Co21 B5"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
RemoveAtomAction | 120b047a-5b67-473b-a29b-a0328e800835 | mp-1213900 | Remove the atom at index 68 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co8S12N8O48
_chemical_formula_sum "Co8 S12 N8 O48"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co8S12N8O47
_chemical_formula_sum "Co8 S12 N8 O47"
_cell_length_a 9.906579
_cell_length_b 9.906579
_cell_length_c 9.906579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RemoveAtomAction | 2c14f8ed-3b89-4ca5-adf6-5d158af0f54b | mp-2228948 | Remove the atom at index 2 from the cif file. The indices of atoms are started from 0. | 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 MgSbP2H2O10
_chemical_formula_sum "Mg1 Sb1 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 102.117078... |
RemoveAtomAction | f8b580c4-02cb-4bdb-8dbb-f89fafd9a249 | mp-1046973 | Remove the atom at index 25 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O15
_chemical_formula_sum "Nb4 Zn4 Ni2 O15"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... |
RemoveAtomAction | b6b03fc6-fcb1-4f67-83b1-1902687ec87a | mp-1228150 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba3LaNb3O12
_chemical_formula_sum "Ba3 La1 Nb3 O12"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... | data_image0
_chemical_formula_structural Ba3LaNb3O11
_chemical_formula_sum "Ba3 La1 Nb3 O11"
_cell_length_a 9.93219031
_cell_length_b 9.932190310000001
_cell_length_c 9.93218995
_cell_angle_alpha 34.142241270000014
_cell_angle_beta 34.142241270000014
_cell_angle_gamma 34.1... |
RemoveAtomAction | ca14496d-6003-486c-93d1-852d9de96dfb | mp-2240197 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV2H2O5
_chemical_formula_sum "Mg1 V2 H2 O5"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... | data_image0
_chemical_formula_structural MgV2H2O4
_chemical_formula_sum "Mg1 V2 H2 O4"
_cell_length_a 3.08567311
_cell_length_b 5.18458825
_cell_length_c 6.51517495
_cell_angle_alpha 101.57425296
_cell_angle_beta 103.70241191
_cell_angle_gamma 89.99272988000001
_space_gro... |
RemoveAtomAction | 89d829eb-6f94-4295-8539-ed429e128334 | mp-1100332 | Remove the atom at index 3 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca3Sn2S8
_chemical_formula_sum "Ca3 Sn2 S8"
_cell_length_a 7.98651512
_cell_length_b 7.98651512
_cell_length_c 7.986515119999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
RemoveAtomAction | 8465a137-dcb8-451d-a1e8-58805d9210b1 | mp-31430 | Remove the atom at index 15 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na16In8
_chemical_formula_sum "Na16 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na15In8
_chemical_formula_sum "Na15 In8"
_cell_length_a 8.15097133
_cell_length_b 8.15097091
_cell_length_c 11.60454069
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.66587737
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | aa9e0407-5a49-4d57-9c8a-8fd7d9e4665d | mp-2715422 | Remove the atom at index 54 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O47
_chemical_formula_sum "Na12 Sc4 Al4 P12 O47"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... |
RemoveAtomAction | d3104a95-4323-442e-b906-0c7c55e4f4e7 | mp-558850 | Remove the atom at index 8 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nd2W4O16
_chemical_formula_sum "Rb2 Nd2 W4 O16"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... | data_image0
_chemical_formula_structural Rb2Nd2W4O15
_chemical_formula_sum "Rb2 Nd2 W4 O15"
_cell_length_a 7.76133376
_cell_length_b 7.76133376
_cell_length_c 7.59294762
_cell_angle_alpha 62.74418263
_cell_angle_beta 62.74418263
_cell_angle_gamma 89.31264594
_space_group_... |
RemoveAtomAction | bd79f6de-6422-4296-a871-27a4c6d990f2 | mp-30276 | Remove the atom at index 13 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 Ce19Ga10Cl8
_chemical_formula_sum "Ce19 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... |
RemoveAtomAction | 0943c1e2-3fa3-4432-96e0-21f3bb862ade | mp-1246300 | Remove the atom at index 18 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi16Se12N8
_chemical_formula_sum "Bi16 Se12 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_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 Bi16Se11N8
_chemical_formula_sum "Bi16 Se11 N8"
_cell_length_a 7.18073703
_cell_length_b 11.15247521
_cell_length_c 11.08990782
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RemoveAtomAction | 4a114554-68e9-4ed9-a9f3-6b56bb71a76a | mp-5214 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O31
_chemical_formula_sum "Ti4 Te12 O31"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... |
RemoveAtomAction | 39a947c8-75bf-4e79-ab71-e6ea8622a72a | mp-18973 | Remove the atom at index 26 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O19
_chemical_formula_sum "Co4 Se8 O19"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
RemoveAtomAction | 3d5867d8-1009-42a7-8c5a-4db04341d8dd | mp-1079383 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu3
_chemical_formula_sum "Ce4 In2 Cu3"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | dd669b4b-e063-453a-ad90-e8cca6748d5c | mp-772024 | Remove the atom at index 35 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br35
_chemical_formula_sum "Ba12 La4 Br35"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RemoveAtomAction | 3c58b75e-8753-4fd4-b641-0d4595afa28d | mp-15514 | Remove the atom at index 6 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Se16
_chemical_formula_sum "Na8 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... | data_image0
_chemical_formula_structural Na7Se16
_chemical_formula_sum "Na7 Se16"
_cell_length_a 9.43549015
_cell_length_b 9.43548998
_cell_length_c 9.43548941
_cell_angle_alpha 101.08664555
_cell_angle_beta 113.81929890999999
_cell_angle_gamma 113.81929052
_space_group_n... |
RemoveAtomAction | 71554325-7833-456c-8801-86ee3a786a74 | mp-761166 | Remove the atom at index 4 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F5
_chemical_formula_sum "Li2 Fe2 F5"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... |
RemoveAtomAction | 4a4340f5-2439-4ede-abde-edf5ffd459d9 | mp-1026435 | Remove the atom at index 7 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg13TiMo
_chemical_formula_sum "Mg13 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... |
RemoveAtomAction | a59de8b7-961c-4b1f-9222-fb95eba734c9 | mp-1221912 | Remove the atom at index 5 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa2S8
_chemical_formula_sum "Mn2 Cr1 Ga2 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... |
RemoveAtomAction | 05e7b37f-82b1-467a-b981-353c1a322157 | mp-1229052 | Remove the atom at index 22 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al40V4
_chemical_formula_sum "Al40 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... |
RemoveAtomAction | a25af10f-e8cf-413b-98ef-0751049220c9 | mp-1207687 | Remove the atom at index 14 from the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In11
_chemical_formula_sum "Zr8 In11"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
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