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 | 1b0a1310-3846-4d60-bebc-e548db58fc3a | mp-568136 | Delete all atoms within 3.447 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V4Br12
_chemical_formula_sum "Rb6 V4 Br12"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
DeleteAroundAtomAction | b00d5e1f-cbc7-46d4-944a-cd0221aad9a1 | mp-1193101 | Delete all atoms within 3.573 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr5Mn3O9
_chemical_formula_sum "Sr5 Mn3 O9"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name_H... |
DeleteAroundAtomAction | 88df7cab-c578-478d-85df-32ef32a33ae0 | mp-755554 | Delete all atoms within 2.274 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural LiF7
_chemical_formula_sum "Li1 F7"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | e16f11cf-e1db-480a-9a4d-50fbc42beda0 | mp-754851 | Delete all atoms within 3.259 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural Li5Co2Sn3O6
_chemical_formula_sum "Li5 Co2 Sn3 O6"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_spac... |
DeleteAroundAtomAction | 760390f0-5b61-4c49-9476-633e49624d16 | mp-558289 | Delete all atoms within 2.013 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag8Se7O29
_chemical_formula_sum "U4 Ag8 Se7 O29"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | b8fed77b-406a-4364-b32a-977e075c9227 | mp-705637 | Delete all atoms within 3.563 angstrom around the atom at index 67 in the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni15P15O55
_chemical_formula_sum "Ni15 P15 O55"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... |
DeleteAroundAtomAction | fbcae34c-1969-41aa-ba1b-ceb3ccd6a0e2 | mp-1191086 | Delete all atoms within 2.921 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn2Cu6P4
_chemical_formula_sum "Nd2 Mn2 Cu6 P4"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
DeleteAroundAtomAction | c85f2c00-e097-4268-ba71-7da0b330891b | mp-30385 | Delete all atoms within 3.104 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho4Au3
_chemical_formula_sum "Ho4 Au3"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 348ee10d-a700-4bda-a32b-ebb4a53838cf | mp-735027 | Delete all atoms within 3.795 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V3S6N3O27
_chemical_formula_sum "V3 S6 N3 O27"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | cdf2f06f-bd90-4cf5-86f4-82622da717ac | mp-1239253 | Delete all atoms within 3.005 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural NbAgS7
_chemical_formula_sum "Nb1 Ag1 S7"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.87686649999999
_spa... |
DeleteAroundAtomAction | 70759d6f-3be7-4e90-9688-42a82b303ef8 | mp-776267 | Delete all atoms within 2.809 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn2Cr3W2O10
_chemical_formula_sum "Li4 Mn2 Cr3 W2 O10"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... |
DeleteAroundAtomAction | 1bc3a13e-0b07-4b5c-88cb-836e82abcd00 | mp-1043670 | Delete all atoms within 2.995 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni4O7
_chemical_formula_sum "Zn2 Ni4 O7"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 5b120882-826c-4644-b2b8-9699acd7382e | mp-704879 | Delete all atoms within 3.419 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni9Te7Br3O23
_chemical_formula_sum "Ni9 Te7 Br3 O23"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.1042254... |
DeleteAroundAtomAction | 46ceb6ee-7dca-4f39-adb5-f9ed3f9cfcf9 | mp-19512 | Delete all atoms within 3.066 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba3V8P8O34
_chemical_formula_sum "Ba3 V8 P8 O34"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | b2ba9685-37a4-4a8a-b9bd-a0b26d3e2016 | mp-7199 | Delete all atoms within 3.874 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 RbPr2
_chemical_formula_sum "Rb1 Pr2"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
DeleteAroundAtomAction | af81efa9-c223-4600-a2f6-16f37b7d3f13 | mp-10339 | Delete all atoms within 2.53 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 Sr4Nb3O6
_chemical_formula_sum "Sr4 Nb3 O6"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 | c7703c69-30aa-4870-853c-e344dca5f46a | mp-1247690 | Delete all atoms within 3.935 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa3Mn6O12
_chemical_formula_sum "Sr1 Ca3 Mn6 O12"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 | 01ad4a19-31d4-4609-a6fd-a4c723e79583 | mp-1194089 | Delete all atoms within 3.01 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn12
_chemical_formula_sum "Mn12"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 03665887-7cbb-423b-ac13-bbf5e4868321 | mp-18051 | Delete all atoms within 3.945 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La6Ti2O14
_chemical_formula_sum "La6 Ti2 O14"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
DeleteAroundAtomAction | ddfc558d-01cf-49c4-b67f-ec3f35ab7823 | mp-715438 | Delete all atoms within 2.505 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe3O7
_chemical_formula_sum "Fe3 O7"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... |
DeleteAroundAtomAction | 5b20a416-9a4b-4153-8756-12c92b76d683 | mp-554765 | Delete all atoms within 3.651 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSbF5
_chemical_formula_sum "Ba1 Sb1 F5"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_nam... |
DeleteAroundAtomAction | 06c6a94d-471b-4695-b033-e0a1764b94af | mp-1208150 | Delete all atoms within 3.5 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 Th3Cr4Sb5
_chemical_formula_sum "Th3 Cr4 Sb5"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 | ae6989b9-c0fa-496c-9fed-4762a00e42fc | mp-774237 | Delete all atoms within 3.531 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural LiCrNiO6
_chemical_formula_sum "Li1 Cr1 Ni1 O6"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.2904402000000... |
DeleteAroundAtomAction | 66f63f36-92f2-492f-85d3-d796bf70c056 | mp-2207630 | Delete all atoms within 3.526 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 Rb4La3F15
_chemical_formula_sum "Rb4 La3 F15"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 | e60218ff-3c47-40a4-a58e-b1dd697aeb40 | mp-562662 | Delete all atoms within 1.534 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_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 Ba8Co4C7O23F8
_chemical_formula_sum "Ba8 Co4 C7 O23 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 3759211f-5aed-4574-811d-cfa9c612f5f7 | mp-755978 | Delete all atoms within 3.202 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni3F2
_chemical_formula_sum "Ni3 F2"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_group_na... |
DeleteAroundAtomAction | c47184c9-8a05-44f8-9b37-eda4b28f9754 | mp-21683 | Delete all atoms within 3.759 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural Ni10P2
_chemical_formula_sum "Ni10 P2"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space_group_... |
DeleteAroundAtomAction | 0edcb136-a5f0-4c2d-94c6-fe57836d2032 | mp-1211033 | Delete all atoms within 3.708 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu2InFe
_chemical_formula_sum "Lu2 In1 Fe1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_grou... |
DeleteAroundAtomAction | 29a1def9-9740-4920-86d2-a49ec8899b38 | mp-1205446 | Delete all atoms within 3.441 angstrom around the atom at index 47 in the cif file. | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg28Br11O14
_chemical_formula_sum "Hg28 Br11 O14"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | b2b545d8-6055-4463-ad9d-a0190743716a | mp-1038443 | Delete all atoms within 3.913 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural HfMg17CdO18
_chemical_formula_sum "Hf1 Mg17 Cd1 O18"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | ee5fb0bd-1cb6-4bbe-8f5f-ae294c01e6ea | mp-1029771 | Delete all atoms within 3.095 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca7Re3N8
_chemical_formula_sum "Ca7 Re3 N8"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_spac... |
DeleteAroundAtomAction | 75bc20a1-1874-4cf6-92b6-9c8dada017aa | mp-1215346 | Delete all atoms within 3.596 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr3
_chemical_formula_sum "Cr3"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 28987954-4ac7-4137-ae1a-00809e400a14 | mp-1176871 | Delete all atoms within 1.908 angstrom around the atom at index 62 in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P14O57
_chemical_formula_sum "Li14 V6 P14 O57"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... |
DeleteAroundAtomAction | 0d544ebb-5202-42af-9c81-451e1449f6ff | mp-775016 | Delete all atoms within 3.703 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... | data_image0
_chemical_formula_structural MnCrPO7
_chemical_formula_sum "Mn1 Cr1 P1 O7"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_space... |
DeleteAroundAtomAction | 8e2dc29a-e5fd-4526-8530-94e1af946e68 | mp-1320145 | Delete all atoms within 1.835 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... | data_image0
_chemical_formula_structural Li2Fe2MoCl2O7
_chemical_formula_sum "Li2 Fe2 Mo1 Cl2 O7"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space_... |
DeleteAroundAtomAction | 27d60750-bf1f-4da5-b8fd-0161032efdf7 | mp-1106114 | Delete all atoms within 2.539 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... | data_image0
_chemical_formula_structural Rb6NdN11
_chemical_formula_sum "Rb6 Nd1 N11"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
_... |
DeleteAroundAtomAction | 210d21e2-ecbd-41a4-b47e-0e37ecd469d9 | mp-1229210 | Delete all atoms within 4.0 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... | data_image0
_chemical_formula_structural Ba8Cu7O26
_chemical_formula_sum "Ba8 Cu7 O26"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_group_name_H... |
DeleteAroundAtomAction | 5657f759-241f-4db3-a665-6d70abae7c1f | mp-1324601 | Delete all atoms within 2.424 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si11Ag8O44
_chemical_formula_sum "Zn12 Si11 Ag8 O44"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
DeleteAroundAtomAction | a2dd6f11-fa6c-4baa-bea0-4859161ae660 | mp-1386638 | Delete all atoms within 3.204 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na3Cu3P3O9
_chemical_formula_sum "Na3 Cu3 P3 O9"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_gr... |
DeleteAroundAtomAction | acf4b10a-ec8f-4d8d-9bba-99496fdde817 | mp-849436 | Delete all atoms within 3.016 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe4O10
_chemical_formula_sum "Na4 Fe4 O10"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
DeleteAroundAtomAction | 5237a51d-6093-40b1-be41-c844176e660c | mp-1238779 | Delete all atoms within 3.139 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural RbCrS4
_chemical_formula_sum "Rb1 Cr1 S4"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... |
DeleteAroundAtomAction | 8ad29bf2-c4fd-4234-ba4b-e85d54b5411f | mp-559435 | Delete all atoms within 3.959 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... | data_image0
_chemical_formula_structural F3
_chemical_formula_sum "F3"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_name_H-... |
DeleteAroundAtomAction | 40762c92-136b-427e-ad46-8828ffe6aaf6 | mp-770799 | Delete all atoms within 3.104 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li4NbO5
_chemical_formula_sum "Li4 Nb1 O5"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_space_gro... |
DeleteAroundAtomAction | 6c09f7ab-5ca7-426e-bd2c-ac75e55ee5a0 | mp-850188 | Delete all atoms within 3.151 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LiVOF5
_chemical_formula_sum "Li1 V1 O1 F5"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 501e6e22-c579-474b-9ba5-f2165756e0ec | mp-1046778 | Delete all atoms within 2.589 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... | data_image0
_chemical_formula_structural Sr3Y4Sn4O11
_chemical_formula_sum "Sr3 Y4 Sn4 O11"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... |
DeleteAroundAtomAction | 8747d1ff-9b7d-41e9-9889-b3f374ea2e89 | mp-1026435 | Delete all atoms within 3.356 angstrom around the atom at index 15 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 Mg5Ti
_chemical_formula_sum "Mg5 Ti1"
_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 | ccb65c0e-4de0-4a13-add3-57e10ff066f6 | mp-1235662 | Delete all atoms within 2.222 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural YFe2O7
_chemical_formula_sum "Y1 Fe2 O7"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 08e6a21a-b3fd-4b6b-8750-b37a6436f694 | mp-3956 | Delete all atoms within 3.888 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr3UO2
_chemical_formula_sum "Sr3 U1 O2"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | dd3d25bb-75af-4924-8439-c03cf99d84de | mp-1249385 | Delete all atoms within 3.976 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... | data_image0
_chemical_formula_structural BaTlO2
_chemical_formula_sum "Ba1 Tl1 O2"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.69914029
_space_g... |
DeleteAroundAtomAction | ce582587-4f9a-40e8-9e8a-11917c6399dd | mp-1192837 | Delete all atoms within 3.393 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... | data_image0
_chemical_formula_structural Al2Sb7Se9Cl8
_chemical_formula_sum "Al2 Sb7 Se9 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_spac... |
DeleteAroundAtomAction | 611d2bed-9371-497e-85f2-cec9844fc7e6 | mp-1035395 | Delete all atoms within 3.132 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg5VCuO11
_chemical_formula_sum "Mg5 V1 Cu1 O11"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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... |
DeleteAroundAtomAction | dc3252f0-3112-4699-a363-2957485de52f | mp-559163 | Delete all atoms within 2.966 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As7O24
_chemical_formula_sum "K4 Fe4 As7 O24"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... |
DeleteAroundAtomAction | 89976ee4-2bb4-464e-9e29-5dabde2573d1 | mp-757591 | Delete all atoms within 1.564 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... | data_image0
_chemical_formula_structural Li12V6P15O57
_chemical_formula_sum "Li12 V6 P15 O57"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... |
DeleteAroundAtomAction | 5493e56a-8068-43d8-aafe-4b76cac1ff0e | mp-11726 | Delete all atoms within 2.595 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si4Ni12
_chemical_formula_sum "La2 Si4 Ni12"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
DeleteAroundAtomAction | caeb2432-1e2b-4378-a16c-f44432ecd600 | mp-540706 | Delete all atoms within 3.884 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Nb3O11
_chemical_formula_sum "Nb3 O11"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_space_gr... |
DeleteAroundAtomAction | 337a901d-0425-432f-99c3-c529007f4a6e | mp-1198574 | Delete all atoms within 2.552 angstrom around the atom at index 77 in the cif file. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg3H29C11N8O22
_chemical_formula_sum "Mg3 H29 C11 N8 O22"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f2e9bbaa-5a0c-408b-8a91-b80f1ce7bcb4 | mp-1028135 | Delete all atoms within 3.98 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | b72282a8-0b4e-4ba7-b3ed-7da2e439d972 | mp-1210644 | Delete all atoms within 3.554 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Nd2HfO4
_chemical_formula_sum "Nd2 Hf1 O4"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
DeleteAroundAtomAction | fc93d7a0-04cb-4604-bf5f-adaf3418b1e0 | mp-1219537 | Delete all atoms within 2.867 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... | data_image0
_chemical_formula_structural Sc2Ga13Fe20
_chemical_formula_sum "Sc2 Ga13 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... |
DeleteAroundAtomAction | 5599d666-7035-4b4e-90ca-e0f82c67a96b | mp-1229180 | Delete all atoms within 3.075 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag5Sb3As3S15
_chemical_formula_sum "Ag5 Sb3 As3 S15"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
DeleteAroundAtomAction | 806ffd72-a744-45d8-b94a-24986a86d834 | mp-1177387 | Delete all atoms within 1.964 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P15O54
_chemical_formula_sum "Li8 V6 P15 O54"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... |
DeleteAroundAtomAction | bc2c6c3d-18a1-4eac-bab6-db5668305631 | mp-2236954 | Delete all atoms within 3.829 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural CoO2F
_chemical_formula_sum "Co1 O2 F1"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_group... |
DeleteAroundAtomAction | 4c4b2469-891b-42f3-bd3f-cae323c85128 | mp-685100 | Delete all atoms within 2.677 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu13I17
_chemical_formula_sum "Cu13 I17"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
DeleteAroundAtomAction | 67eb4641-9701-46c0-80c0-4958521cf404 | mp-1110589 | Delete all atoms within 3.915 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb
_chemical_formula_sum "Rb1"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_na... |
DeleteAroundAtomAction | 9f56f853-1f5f-4a2c-92aa-a096e1cd8ae3 | mp-677864 | Delete all atoms within 3.068 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... | data_image0
_chemical_formula_structural LiSn3P5O19
_chemical_formula_sum "Li1 Sn3 P5 O19"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_sp... |
DeleteAroundAtomAction | 8893bb51-f2b9-47a5-9b9b-b919741f0ca9 | mp-1379435 | Delete all atoms within 3.403 angstrom around the atom at index 8 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 LiNiO2
_chemical_formula_sum "Li1 Ni1 O2"
_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_... |
DeleteAroundAtomAction | 37e203dd-23f7-45e3-93ab-599f04a587ce | mp-1213576 | Delete all atoms within 3.96 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu14Ni2Sb4S16N10
_chemical_formula_sum "Cu14 Ni2 Sb4 S16 N10"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
DeleteAroundAtomAction | 9aaeea71-caf9-4ad2-9005-aa6c293a4bf7 | mp-754454 | Delete all atoms within 2.346 angstrom around the atom at index 13 in the cif file. | 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 CdAg2O7
_chemical_formula_sum "Cd1 Ag2 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_H... |
DeleteAroundAtomAction | d9e2081b-06b5-4082-b897-67affdc4bd01 | mp-698292 | Delete all atoms within 2.634 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... | data_image0
_chemical_formula_structural K2CdH16C6O20
_chemical_formula_sum "K2 Cd1 H16 C6 O20"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 121.7021... |
DeleteAroundAtomAction | a7a44e0c-2669-4a24-960a-09b39d10e094 | mp-755682 | Delete all atoms within 2.404 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... | data_image0
_chemical_formula_structural Li7Fe2O2F2
_chemical_formula_sum "Li7 Fe2 O2 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... |
DeleteAroundAtomAction | f4867395-8639-4474-bd94-724055b4a592 | mp-761155 | Delete all atoms within 2.424 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... | data_image0
_chemical_formula_structural Li4Co2Ni3W2O10
_chemical_formula_sum "Li4 Co2 Ni3 W2 O10"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... |
DeleteAroundAtomAction | 3d9ed384-117b-4d28-b8fa-3688ba29ffba | mp-1034797 | Delete all atoms within 3.0 angstrom around the atom at index 25 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 RbNaMg10O12
_chemical_formula_sum "Rb1 Na1 Mg10 O12"
_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... |
DeleteAroundAtomAction | 8a7b7e37-ab25-4a8c-b5c0-8e2242b3a570 | mp-1033833 | Delete all atoms within 2.28 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg4O6
_chemical_formula_sum "Cs1 Rb1 Mg4 O6"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
DeleteAroundAtomAction | da98999b-00e2-490f-8926-8e56728b70da | mp-30794 | Delete all atoms within 3.785 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... | data_image0
_chemical_formula_structural Na22Sn5
_chemical_formula_sum "Na22 Sn5"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... |
DeleteAroundAtomAction | ea48c037-86e7-4995-ab38-3940fddfb4e0 | mp-2219347 | Delete all atoms within 3.238 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4MoW2S2
_chemical_formula_sum "Mg1 Te4 Mo1 W2 S2"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.9954440200000... |
DeleteAroundAtomAction | 8fccf744-2924-4bc9-80fd-2b2cce5c9aa2 | mp-1033378 | Delete all atoms within 2.592 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg3BiO7
_chemical_formula_sum "Mg3 Bi1 O7"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 | 948d7571-6af5-4fd1-99cc-eb380987f5d7 | mp-706430 | Delete all atoms within 3.504 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 H7N3O10
_chemical_formula_sum "H7 N3 O10"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
DeleteAroundAtomAction | b55132aa-ab4d-4128-9261-894026ba5180 | mp-1213717 | Delete all atoms within 3.635 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 Cs7Sb4F11
_chemical_formula_sum "Cs7 Sb4 F11"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 | 6bb5d569-8c94-4c2f-8e42-406348298a73 | mp-1227514 | Delete all atoms within 2.58 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4GeO10
_chemical_formula_sum "Ca4 Ga4 Ge1 O10"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 5f496e8f-7fa8-4a0a-b92e-d7d9a7ae4996 | mp-780049 | Delete all atoms within 2.575 angstrom around the atom at index 47 in the cif file. | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... | data_image0
_chemical_formula_structural Lu2Ta11O34
_chemical_formula_sum "Lu2 Ta11 O34"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... |
DeleteAroundAtomAction | 82c770b7-66aa-4bd8-b64e-28f1692cf56f | mp-13514 | Delete all atoms within 3.249 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural NdB3O4
_chemical_formula_sum "Nd1 B3 O4"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space_gr... |
DeleteAroundAtomAction | 2c14ef60-140e-43d6-b357-82516f5c1ac1 | mp-735530 | Delete all atoms within 1.963 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... | data_image0
_chemical_formula_structural Ba2Fe2P6HO21
_chemical_formula_sum "Ba2 Fe2 P6 H1 O21"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... |
DeleteAroundAtomAction | 70655c49-113a-4098-bfc2-4331c81f3790 | mp-559593 | Delete all atoms within 2.713 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S7N11F6
_chemical_formula_sum "P3 S7 N11 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
DeleteAroundAtomAction | 45d6400d-b04c-4604-9157-992946151a71 | mp-555541 | Delete all atoms within 2.132 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... | data_image0
_chemical_formula_structural K4C4N7O15
_chemical_formula_sum "K4 C4 N7 O15"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... |
DeleteAroundAtomAction | a82407f6-b181-486f-a23f-9e31338f49b6 | mp-1044010 | Delete all atoms within 3.678 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zn3Sn3Bi3O11
_chemical_formula_sum "Zn3 Sn3 Bi3 O11"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 7f8c357f-86e5-4812-9241-16669c0b96e1 | mp-705551 | Delete all atoms within 3.012 angstrom around the atom at index 23 in the cif file. | 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 Fe9O12
_chemical_formula_sum "Fe9 O12"
_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-M... |
DeleteAroundAtomAction | 93652b6c-6b3c-4f44-985a-3e5e1a55e695 | mp-4770 | Delete all atoms within 3.801 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... | data_image0
_chemical_formula_structural Na
_chemical_formula_sum "Na1"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 09c89442-d3ec-4b24-abf5-c0aee78aae21 | mp-1207356 | Delete all atoms within 3.254 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm2O5
_chemical_formula_sum "Tm2 O5"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 1009923c-ffbd-4675-a3bb-b10f8e7a061c | mp-22290 | Delete all atoms within 3.581 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... | data_image0
_chemical_formula_structural Mn3Si3Ni9
_chemical_formula_sum "Mn3 Si3 Ni9"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.00418521999999
... |
DeleteAroundAtomAction | e48125c6-12c5-47b3-85b1-5cdf1591d6bb | mp-1304002 | Delete all atoms within 3.683 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li2Ni3BiO8
_chemical_formula_sum "Li2 Ni3 Bi1 O8"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_space_g... |
DeleteAroundAtomAction | 3e085d8a-f401-4007-a325-e0b09099c161 | mp-1520897 | Delete all atoms within 3.149 angstrom around the atom at index 4 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 O
_chemical_formula_sum "O1"
_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_group_name... |
DeleteAroundAtomAction | f5af4c85-08cf-45c1-a519-298eac48ce29 | mp-1035887 | Delete all atoms within 3.127 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 Mg11O10
_chemical_formula_sum "Mg11 O10"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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... |
DeleteAroundAtomAction | eab0e8c6-4194-4211-8c01-f0ee23b19d2c | mp-1208371 | Delete all atoms within 2.837 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl3N8Cl19O4
_chemical_formula_sum "Tl3 N8 Cl19 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | 5433b839-b3cc-432f-8179-1dfd684c7551 | mp-1237973 | Delete all atoms within 2.725 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2MgS2
_chemical_formula_sum "Y2 Mg1 S2"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_name... |
DeleteAroundAtomAction | e3419988-d8b3-4be2-9e32-829fbb8909b0 | mp-570610 | Delete all atoms within 3.209 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd12I25
_chemical_formula_sum "Cd12 I25"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 7dcab656-83d4-442b-9e85-c1a7bb40a1f9 | mp-560404 | Delete all atoms within 3.297 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In3HSe2O8
_chemical_formula_sum "In3 H1 Se2 O8"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_name_... |
DeleteAroundAtomAction | eb57b0b5-c3af-41a3-afbb-1f3efaddfe3e | mp-728419 | Delete all atoms within 2.561 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_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 Cd4C24S12N15
_chemical_formula_sum "Cd4 C24 S12 N15"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 48997daf-dc34-4d89-a55b-4adae3192cd5 | mp-754801 | Delete all atoms within 2.638 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li2Ti4O12
_chemical_formula_sum "Li2 Ti4 O12"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
DeleteAroundAtomAction | bafcdcc3-1dd7-4095-9cbe-cbfba03b381a | mp-1199329 | Delete all atoms within 3.879 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd2P3H3C7O14
_chemical_formula_sum "Gd2 P3 H3 C7 O14"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... |
DeleteAroundAtomAction | 476e1145-02d0-458f-83bb-38fb3f8e364f | mp-756138 | Delete all atoms within 3.119 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li3V3Sb2O9
_chemical_formula_sum "Li3 V3 Sb2 O9"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_na... |
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