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 |
|---|---|---|---|---|---|
DeleteAroundAtomAction | 7d4e0cf7-a710-4019-8b10-38b7c6a0d4a7 | mp-19489 | Delete all atoms within 2.817 angstrom around the atom at index 62 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm3Co4B18O33
_chemical_formula_sum "Sm3 Co4 B18 O33"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 8a3a77fc-e94e-4374-9199-d5ff1e986f1f | mp-1197276 | Delete all atoms within 3.854 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La12I5O31
_chemical_formula_sum "La12 I5 O31"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 47828c76-5dc3-4d31-8fab-a1f3c0114dae | mp-1205145 | Delete all atoms within 2.428 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si15H8O48
_chemical_formula_sum "Na8 Ti4 Si15 H8 O48"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | a2634d03-54d8-47f6-ae24-dd042cc8d0ab | mp-1177530 | Delete all atoms within 2.104 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li3Mn2Ni2SnO15
_chemical_formula_sum "Li3 Mn2 Ni2 Sn1 O15"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.499184370000016... |
DeleteAroundAtomAction | e943bf26-9d2f-4e60-aeb5-fffbb9637d22 | mp-19484 | Delete all atoms within 3.345 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca3V6O24
_chemical_formula_sum "Ba4 Ca3 V6 O24"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 6a1f0c3e-152b-458c-a324-e3c3b393191b | mp-1237178 | Delete all atoms within 3.07 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf2F4
_chemical_formula_sum "Hf2 F4"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space_group... |
DeleteAroundAtomAction | 532a01e4-4aa5-4826-9288-ef57d92f31ad | mp-11609 | Delete all atoms within 3.516 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo2S
_chemical_formula_sum "Sb2 Mo2 S1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 3fb42a5f-45f5-471d-86ba-94f56501b9ea | mp-752908 | Delete all atoms within 2.567 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li3Ni4O6
_chemical_formula_sum "Li3 Ni4 O6"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group_n... |
DeleteAroundAtomAction | 60796f93-61bd-438a-a89c-951c0d4fd2df | mp-1224446 | Delete all atoms within 3.771 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Fe3
_chemical_formula_sum "Fe3"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 437ea5be-7561-4b17-bccf-69bd3f5f0761 | mp-1234927 | Delete all atoms within 3.203 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe5O7F
_chemical_formula_sum "Mg1 Fe5 O7 F1"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
_s... |
DeleteAroundAtomAction | 21407e13-6ae8-45c1-8dbf-2c38fa104e4b | mp-2230845 | Delete all atoms within 3.933 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural SiO4
_chemical_formula_sum "Si1 O4"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space_group_name_H-M_... |
DeleteAroundAtomAction | 8da3a1fd-5015-4671-a9eb-93eea7b76e7a | mp-27741 | Delete all atoms within 3.029 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te3AuI4
_chemical_formula_sum "Te3 Au1 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f2bc7da4-7bac-4b48-9cad-029fdf4b9bbd | mp-600038 | Delete all atoms within 2.267 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si9O16
_chemical_formula_sum "Si9 O16"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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... |
DeleteAroundAtomAction | 3d763408-fcde-42e0-aee9-7e0a58ae8329 | mp-28179 | Delete all atoms within 3.076 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta3Cl18
_chemical_formula_sum "Na4 Ta3 Cl18"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 33da0731-2932-445a-92b8-f50d46c58af8 | mp-1227155 | Delete all atoms within 3.263 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Zn3
_chemical_formula_sum "Ca4 Zn3"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 08862f15-9454-4cae-bcbe-ddc361b8c3fe | mp-1190956 | Delete all atoms within 3.473 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K3HC2O4
_chemical_formula_sum "K3 H1 C2 O4"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_name_H... |
DeleteAroundAtomAction | 83e0d748-8064-4261-b768-f9946e558428 | mp-1227253 | Delete all atoms within 3.702 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU2Ti5O12
_chemical_formula_sum "Ca1 U2 Ti5 O12"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
DeleteAroundAtomAction | f5cc0a97-04c2-44c2-a41c-3fb01a16ff67 | mp-1036209 | Delete all atoms within 2.483 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg13TiMnO11
_chemical_formula_sum "Mg13 Ti1 Mn1 O11"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 03520a10-40b1-456b-887f-560737ece309 | mp-1076382 | Delete all atoms within 2.271 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe6O23
_chemical_formula_sum "La7 Sm1 Fe6 O23"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 62ac9ecd-50ce-449d-a142-b619265b2e94 | mp-775903 | Delete all atoms within 1.899 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P6O27
_chemical_formula_sum "Li8 Mn4 P6 O27"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... |
DeleteAroundAtomAction | c69c7690-6c79-430b-a126-d51398458622 | mp-754739 | Delete all atoms within 3.404 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be3O3
_chemical_formula_sum "Be3 O3"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | 89f20faf-e2cb-417d-88f3-02e4a7766f7a | mp-560553 | Delete all atoms within 2.014 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir3F23
_chemical_formula_sum "Ir3 F23"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 439bd159-a257-4d23-8222-06ca06086932 | mp-1105157 | Delete all atoms within 2.405 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2MnWO11
_chemical_formula_sum "Rb2 Nd2 Mn1 W1 O11"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 1d23bb29-5e89-4952-87a0-7fb5bca2f32a | mp-18973 | Delete all atoms within 3.138 angstrom around the atom at index 15 in the cif file. | 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 Co4Se4O15
_chemical_formula_sum "Co4 Se4 O15"
_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... |
DeleteAroundAtomAction | f564912b-89c8-4843-8480-9a810ddaa5f1 | mp-1245851 | Delete all atoms within 3.977 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca21Cr3N17
_chemical_formula_sum "Ca21 Cr3 N17"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 97f50138-e4c1-4ccc-9971-dbd389e213d0 | mp-1205514 | Delete all atoms within 3.699 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
_space_group_n... |
DeleteAroundAtomAction | c0b3dcee-ca3e-46c0-9773-16ff8d76cf1a | mp-1073481 | Delete all atoms within 3.886 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg2Si2
_chemical_formula_sum "Mg2 Si2"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... |
DeleteAroundAtomAction | 4a13bd17-39a8-4914-a242-b99271f04344 | mp-1192994 | Delete all atoms within 2.581 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2S13
_chemical_formula_sum "Ce6 Al2 S13"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 1ebc2ce4-3991-449e-985f-ecf7d5c01941 | mp-28507 | Delete all atoms within 3.354 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb10S38
_chemical_formula_sum "La16 Nb10 S38"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 65b51979-f560-4c02-b344-ab2d149a687b | mp-1204890 | Delete all atoms within 3.134 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N7O30
_chemical_formula_sum "Zr4 N7 O30"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... |
DeleteAroundAtomAction | 3b69a71d-55de-4833-9050-a96ff633ae71 | mp-1203353 | Delete all atoms within 3.13 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Sr20Pb14
_chemical_formula_sum "Sr20 Pb14"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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_... |
DeleteAroundAtomAction | a617258b-6791-4894-8b4d-f99c9aee56ca | mp-1204185 | Delete all atoms within 3.008 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag10Te7W5O33
_chemical_formula_sum "Ag10 Te7 W5 O33"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
DeleteAroundAtomAction | 6813da01-f5ea-48dd-a7f5-e09be9aed565 | mp-1235162 | Delete all atoms within 3.543 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Li
_chemical_formula_sum "Li1"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_space_group_name_H-... |
DeleteAroundAtomAction | 834fe554-4c19-46d2-8af1-b8faeb149e78 | mp-1197546 | Delete all atoms within 3.897 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Cu2O9
_chemical_formula_sum "Cu2 O9"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
DeleteAroundAtomAction | 6f3482bc-5f5c-4a42-a304-d6c53358058d | mp-886625 | Delete all atoms within 3.629 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 0bdab9a3-eb28-4432-8b5c-7b1e79039ca2 | mp-672679 | Delete all atoms within 3.461 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y10In4Ir3
_chemical_formula_sum "Y10 In4 Ir3"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... |
DeleteAroundAtomAction | 50bf9a97-7f02-4351-8e25-5c0f7ed275dc | mp-1209251 | Delete all atoms within 2.901 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSeO4
_chemical_formula_sum "Rb1 Al1 Se1 O4"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 5fd1d351-7acd-4bbd-a996-53f8bb1b3a78 | mp-14794 | Delete all atoms within 3.542 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K9CoS3
_chemical_formula_sum "K9 Co1 S3"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | c9bb0e48-094e-40e7-b7b3-ab376b2675b3 | mp-1245942 | Delete all atoms within 3.726 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn
_chemical_formula_sum "Mn1"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 804b1e50-2725-4d40-bf90-27a3c2ae432b | mp-1213955 | Delete all atoms within 3.459 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd3N3O14
_chemical_formula_sum "Cd3 N3 O14"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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... |
DeleteAroundAtomAction | a480e96e-1cbb-49b9-b181-fba346b3cf74 | mp-29778 | Delete all atoms within 2.739 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge11
_chemical_formula_sum "Nd8 Ge11"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 6e6cfa70-09bb-4d21-946f-aa7f831c5464 | mp-16811 | Delete all atoms within 3.269 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho6Mo2O14
_chemical_formula_sum "Ho6 Mo2 O14"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... |
DeleteAroundAtomAction | 1921640b-b5b6-4da9-9801-b156b39456ca | mp-1373426 | Delete all atoms within 3.261 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural CaTaVO4
_chemical_formula_sum "Ca1 Ta1 V1 O4"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 083713bc-b31a-4afc-b94e-9a2d47181cdd | mp-777558 | Delete all atoms within 2.255 angstrom around the atom at index 83 in the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li28Ti2Cr12O47
_chemical_formula_sum "Li28 Ti2 Cr12 O47"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... |
DeleteAroundAtomAction | 75edff00-aafb-4368-b3fd-15173dbb0278 | mp-556173 | Delete all atoms within 2.63 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C5S11N10O6F12
_chemical_formula_sum "Zn1 As2 C5 S11 N10 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... |
DeleteAroundAtomAction | 43111b75-726f-45ee-97f8-51bbef9e4fe0 | mp-28263 | Delete all atoms within 1.145 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H11O7
_chemical_formula_sum "K4 H11 O7"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 679280e4-292e-4522-a11e-9230d2e252f1 | mp-1217519 | Delete all atoms within 2.007 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V3Pb2O12
_chemical_formula_sum "Th2 V3 Pb2 O12"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... |
DeleteAroundAtomAction | 7fff474c-c175-4956-bd1e-843486566247 | mp-1106213 | Delete all atoms within 2.487 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd2MgIrO11
_chemical_formula_sum "Nd2 Mg1 Ir1 O11"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | a0955861-14a4-4cac-9181-559d2ae47c76 | mp-1247447 | Delete all atoms within 3.159 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural MgSc3MnS4
_chemical_formula_sum "Mg1 Sc3 Mn1 S4"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_g... |
DeleteAroundAtomAction | e12eaca3-c718-4731-812a-222267f6bbe6 | mp-1210947 | Delete all atoms within 2.186 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W3O15
_chemical_formula_sum "Lu2 Ag2 W3 O15"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
DeleteAroundAtomAction | a1ec3a00-d195-4852-b7b8-c9bb412c5a5d | mp-1205853 | Delete all atoms within 3.153 angstrom around the atom at index 1 in the cif file. | 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 Nd3In2Au
_chemical_formula_sum "Nd3 In2 Au1"
_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"
_spac... |
DeleteAroundAtomAction | 502a42b4-93f7-4424-a4d5-0c169c5dd0a5 | mp-1235023 | Delete all atoms within 2.612 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZnFeO7
_chemical_formula_sum "Li1 Zn1 Fe1 O7"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.26670332999998... |
DeleteAroundAtomAction | 686018d2-88b9-432e-b08f-ca758311aaf6 | mp-1228731 | Delete all atoms within 3.572 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La2Mo8O24
_chemical_formula_sum "Ba2 Li3 La2 Mo8 O24"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... |
DeleteAroundAtomAction | 917e9464-9e58-4b57-8e90-886f867e4029 | mp-2241183 | Delete all atoms within 3.361 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNbO2
_chemical_formula_sum "Mg1 Nb1 O2"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002
_space_... |
DeleteAroundAtomAction | 4e0a1713-5d6a-4dc9-bb97-ba58d0588be8 | mp-1522797 | Delete all atoms within 3.266 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001
_space_group_name... |
DeleteAroundAtomAction | a1acc6e5-a79f-4c24-8844-a88efe6c79dc | mp-1245775 | Delete all atoms within 3.689 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr10Ta5N10
_chemical_formula_sum "Sr10 Ta5 N10"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 54a9eb73-c9ba-4b2a-8667-24bff39c4621 | mp-2220668 | Delete all atoms within 3.824 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural SrMgTi4O7
_chemical_formula_sum "Sr1 Mg1 Ti4 O7"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
_space_... |
DeleteAroundAtomAction | 67677afe-593e-495d-8f3d-e74b5a198ea3 | mp-758878 | Delete all atoms within 2.794 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe7O2F8
_chemical_formula_sum "Li3 Fe7 O2 F8"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996
... |
DeleteAroundAtomAction | 1beadc04-e95f-4bf3-9afb-5ab01ce30ae0 | mp-1175561 | Delete all atoms within 2.127 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li6MnCo4O15
_chemical_formula_sum "Li6 Mn1 Co4 O15"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
_... |
DeleteAroundAtomAction | db08137a-0976-49ad-ac4a-c0fd9516cd96 | mp-1746 | Delete all atoms within 2.143 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural MgF7
_chemical_formula_sum "Mg1 F7"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_numb... |
DeleteAroundAtomAction | b5d66c9d-f0e1-4f6e-aed3-8a6f25147a10 | mp-1223525 | Delete all atoms within 2.471 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa6Cu4O15
_chemical_formula_sum "K1 La6 Cu4 O15"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... |
DeleteAroundAtomAction | 8fe03801-daa0-4d56-a940-ef2c37b1c6af | mp-1110869 | Delete all atoms within 3.098 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2Cl5
_chemical_formula_sum "K2 Cl5"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
DeleteAroundAtomAction | fab5e9b7-8e3b-43ae-a8a3-772e9051f931 | mp-541646 | Delete all atoms within 3.106 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru3Cl17
_chemical_formula_sum "Cs6 Ru3 Cl17"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... |
DeleteAroundAtomAction | 0b5ae84c-fcac-4161-86aa-939ab0b52677 | mp-1227353 | Delete all atoms within 3.759 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Sn2Pt
_chemical_formula_sum "Sn2 Pt1"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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_nu... |
DeleteAroundAtomAction | 23a5d231-af00-462c-9e1d-c0c8aa538d31 | mp-26157 | Delete all atoms within 1.625 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P15O44
_chemical_formula_sum "Li4 Sb4 P15 O44"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
DeleteAroundAtomAction | ba8bbbd3-acd3-4c6a-ae2d-8f97f1710993 | mp-1520897 | Delete all atoms within 2.73 angstrom around the atom at index 5 in the cif file. | 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 Sr2O5
_chemical_formula_sum "Sr2 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 59.99999999999999
_space_gr... |
DeleteAroundAtomAction | a42f7b40-7e29-4aff-be9b-599bf4165c20 | mp-755481 | Delete all atoms within 3.392 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural CaCl3O5
_chemical_formula_sum "Ca1 Cl3 O5"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
_s... |
DeleteAroundAtomAction | 67802ee8-a8c1-4934-a432-c320f28eea2b | mp-781738 | Delete all atoms within 2.215 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8SO31
_chemical_formula_sum "Na12 V4 B8 S1 O31"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
DeleteAroundAtomAction | 5b22d46f-a0fa-4bca-a732-0bac5573b739 | mp-2227841 | Delete all atoms within 2.309 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural TmMgVO7
_chemical_formula_sum "Tm1 Mg1 V1 O7"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_gr... |
DeleteAroundAtomAction | 66d505fb-a392-4b47-8c71-3161036cc7f8 | mp-1027815 | Delete all atoms within 3.693 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 78845b10-e366-4f80-b60d-421c946bdbed | mp-1021697 | Delete all atoms within 3.634 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg5TiV
_chemical_formula_sum "Mg5 Ti1 V1"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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_... |
DeleteAroundAtomAction | 5d89a7d9-0ec1-4b8a-b394-8dfe0448816b | mp-1202826 | Delete all atoms within 3.983 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd4U3S12
_chemical_formula_sum "Gd4 U3 S12"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... |
DeleteAroundAtomAction | 5280effc-3a0d-4a97-8602-dfd79387e04d | mp-1041071 | Delete all atoms within 2.581 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg3Co6P7O28
_chemical_formula_sum "Mg3 Co6 P7 O28"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... |
DeleteAroundAtomAction | e369b1d2-17cf-41d2-85b8-767e2c88f432 | mp-1105286 | Delete all atoms within 3.261 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu2Pd4
_chemical_formula_sum "Eu2 Pd4"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... |
DeleteAroundAtomAction | 38ca7ef8-bf22-4df9-8c50-43fe12fd93f4 | mp-557500 | Delete all atoms within 2.813 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural NiP2
_chemical_formula_sum "Ni1 P2"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_group_name_H-M... |
DeleteAroundAtomAction | e2933620-1f05-4970-8d89-f06a132931e2 | mp-2230050 | Delete all atoms within 2.516 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe5O3F4
_chemical_formula_sum "Mg1 Fe5 O3 F4"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... |
DeleteAroundAtomAction | 0deceeff-052d-4173-8424-67867482970e | mp-1034797 | Delete all atoms within 3.992 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbMg7O7
_chemical_formula_sum "Rb1 Mg7 O7"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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... |
DeleteAroundAtomAction | a1dbbf28-e2e0-40be-b315-0f6709e252a9 | mp-1026435 | Delete all atoms within 3.876 angstrom around the atom at index 0 in the cif file. | 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 Mg5Mo
_chemical_formula_sum "Mg5 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 "P 1... |
DeleteAroundAtomAction | 52cc9e63-76f2-455d-ba48-e3059b7823e5 | mp-1276479 | Delete all atoms within 2.562 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni9O6
_chemical_formula_sum "Na2 Ni9 O6"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_space... |
DeleteAroundAtomAction | e17dbcb1-a0fc-48a5-8816-8af22957b772 | mp-28088 | Delete all atoms within 3.62 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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 Ca9Al3Bi8
_chemical_formula_sum "Ca9 Al3 Bi8"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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... |
DeleteAroundAtomAction | c48d1c46-d685-4aa7-bd60-9b9061a7d325 | mp-551214 | Delete all atoms within 3.126 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural CeS3O2
_chemical_formula_sum "Ce1 S3 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999
_space... |
DeleteAroundAtomAction | 1bc09acb-07d1-4310-a622-c56ec8501eed | mp-1195405 | Delete all atoms within 3.872 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho2Mn3Cu12P9
_chemical_formula_sum "Ho2 Mn3 Cu12 P9"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 0a07023a-ed6f-4799-92b2-bfd6896256f9 | mp-1226187 | Delete all atoms within 3.865 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsRb2Se3O10
_chemical_formula_sum "Cs1 Rb2 Se3 O10"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 3850faba-96c5-4e06-be77-fed8415d099f | mp-1173945 | Delete all atoms within 2.147 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li5Mn3O9
_chemical_formula_sum "Li5 Mn3 O9"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_group... |
DeleteAroundAtomAction | a4f46678-e487-4009-9401-9fa20cc67b9d | mp-1095566 | Delete all atoms within 2.789 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co3
_chemical_formula_sum "La2 Co3"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 20b3bb23-6ced-479f-b664-ab459d7b206e | mp-1208738 | Delete all atoms within 2.673 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb10Ni4Pb
_chemical_formula_sum "Tb10 Ni4 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
DeleteAroundAtomAction | 5b4296b9-78db-469d-9d8a-22b4fb2862b1 | mp-760194 | Delete all atoms within 3.396 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li7V7F40
_chemical_formula_sum "Li7 V7 F40"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 0ce6ef83-367f-41c2-8fd3-d9145693fc2c | mp-776000 | Delete all atoms within 3.618 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti2Mn2SbP4O15
_chemical_formula_sum "Ti2 Mn2 Sb1 P4 O15"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... |
DeleteAroundAtomAction | 02a84255-6deb-43fe-8fa7-b6308d008832 | mp-556656 | Delete all atoms within 3.794 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn11B20Cl2O42
_chemical_formula_sum "Mn11 B20 Cl2 O42"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 393fbb0a-3a77-43ee-a370-52912a3bc30b | mp-673174 | Delete all atoms within 3.21 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe13N6
_chemical_formula_sum "Fe13 N6"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
DeleteAroundAtomAction | 7b786917-5360-400b-b44f-b7976b272a1c | mp-640383 | Delete all atoms within 3.718 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho13Ni3Sb4
_chemical_formula_sum "Ho13 Ni3 Sb4"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 9c46de87-7e14-4e44-ae39-6a866095e431 | mp-1224597 | Delete all atoms within 3.906 angstrom around the atom at index 65 in the cif file. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K5Nb6As7O34
_chemical_formula_sum "K5 Nb6 As7 O34"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | c18abc37-4367-4554-b4c5-415d63670f54 | mp-557081 | Delete all atoms within 2.484 angstrom around the atom at index 54 in the cif file. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr12O41
_chemical_formula_sum "Ba14 Cr12 O41"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e6465268-ef86-4e90-839b-4bae270868bd | mp-1202797 | Delete all atoms within 1.471 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H23C6S6Br4N11
_chemical_formula_sum "Ag4 H23 C6 S6 Br4 N11"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 6630615a-5324-4112-acd6-4da1a57558c5 | mp-4721 | Delete all atoms within 3.633 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb3Sb12Se17
_chemical_formula_sum "Rb3 Sb12 Se17"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 812cc55c-e56f-4a93-82eb-150b85deb869 | mp-1369271 | Delete all atoms within 2.249 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural TiZn3SbO11
_chemical_formula_sum "Ti1 Zn3 Sb1 O11"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 576f685d-b034-4990-bcf3-604cecdf9552 | mp-613677 | Delete all atoms within 3.1 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 GdMnGe3
_chemical_formula_sum "Gd1 Mn1 Ge3"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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... |
DeleteAroundAtomAction | 77238b3e-a18c-4dee-89e1-2118facf3b0f | mp-755893 | Delete all atoms within 2.859 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca2Bi2O11
_chemical_formula_sum "Ca2 Bi2 O11"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 5d035945-5660-4157-b6ad-870091391a12 | mp-1041312 | Delete all atoms within 2.815 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn3O4
_chemical_formula_sum "Ba1 Mn3 O4"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 3eb80698-8482-4a07-871f-8c7e861e02bd | mp-27353 | Delete all atoms within 3.504 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb11Cl23F31
_chemical_formula_sum "Sb11 Cl23 F31"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
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