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 | e2a439d7-ef2f-4495-b284-fd01d1f5573c | mp-1245698 | Delete all atoms within 3.538 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural CrN4
_chemical_formula_sum "Cr1 N4"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_numb... |
DeleteAroundAtomAction | 41aa6968-00df-4dea-8d85-8f5d0285f6ff | mp-1340075 | Delete all atoms within 3.88 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural PO
_chemical_formula_sum "P1 O1"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 770f5186-eac9-43cc-b510-cefa95e669d6 | mp-1201234 | Delete all atoms within 1.935 angstrom around the atom at index 56 in the cif file. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H30S12O39
_chemical_formula_sum "Cu4 H30 S12 O39"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
DeleteAroundAtomAction | 6c7a51d9-ea35-4726-a4d0-196170332fbb | mp-1173581 | Delete all atoms within 2.265 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Ti8P7O36
_chemical_formula_sum "Na8 Ti8 P7 O36"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | cac3812d-62f0-4924-8750-619a089d34dd | mp-557500 | Delete all atoms within 2.729 angstrom around the atom at index 8 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 PS5
_chemical_formula_sum "P1 S5"
_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_a... |
DeleteAroundAtomAction | a75b61fe-a8d0-4441-975e-9a32204000ca | mp-1214002 | Delete all atoms within 3.845 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce2P6Pd4
_chemical_formula_sum "Ce2 P6 Pd4"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
_s... |
DeleteAroundAtomAction | 7a1c6cd4-6d65-4acc-a883-8f96730c107c | mp-1523308 | Delete all atoms within 2.816 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb3O18
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb3 O18"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | fd1f77d0-8d1e-4653-a292-3972d584e4a1 | mp-566278 | Delete all atoms within 2.791 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural W2O5
_chemical_formula_sum "W2 O5"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_numbe... |
DeleteAroundAtomAction | 129a5db3-88d7-4ee7-be0c-5e1ca6f59c68 | mp-849652 | Delete all atoms within 2.629 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2Cu2O4
_chemical_formula_sum "Li3 Ti2 Cu2 O4"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_spac... |
DeleteAroundAtomAction | 16cbb434-3c2d-49cf-9435-964597fdb8db | mp-1103082 | Delete all atoms within 2.817 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co3
_chemical_formula_sum "Sm2 Co3"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 74c65771-6244-46c4-878a-61e0460e88ff | mp-554185 | Delete all atoms within 3.027 angstrom around the atom at index 67 in the cif file. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al15P15O57
_chemical_formula_sum "Al15 P15 O57"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... |
DeleteAroundAtomAction | d541ec5c-578e-4bd7-b41c-7ccd135750d4 | mp-757246 | Delete all atoms within 3.594 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural LiTiVO8
_chemical_formula_sum "Li1 Ti1 V1 O8"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
_spac... |
DeleteAroundAtomAction | fb5224d5-69e3-40a8-9eab-515daec9e3f1 | mp-1516711 | Delete all atoms within 3.456 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sm4Nb3O18
_chemical_formula_sum "Sr8 Sm4 Nb3 O18"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | c5177701-fc17-47aa-8ea5-ac46b6779b46 | mp-1236137 | Delete all atoms within 3.99 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural Y2O5
_chemical_formula_sum "Y2 O5"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_space_group_name... |
DeleteAroundAtomAction | a346a147-8d07-402d-ad57-8f445b3b2806 | mp-771159 | Delete all atoms within 3.494 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li3V4WO6
_chemical_formula_sum "Li3 V4 W1 O6"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066568... |
DeleteAroundAtomAction | 5e073209-4f51-40ed-ab5b-65d70bebfa7f | mp-505712 | Delete all atoms within 3.896 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2HoSe2
_chemical_formula_sum "Cs2 Ho1 Se2"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | e62b9d4e-4415-4f06-a32b-0902fe8d09df | mp-1193265 | Delete all atoms within 3.04 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na11Sb4Se9
_chemical_formula_sum "Na11 Sb4 Se9"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 1d64822a-7076-4781-a7d1-08c96ec7925c | mp-1191147 | Delete all atoms within 3.036 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural SmFe7P6
_chemical_formula_sum "Sm1 Fe7 P6"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 0f632070-00c9-4d54-8ec1-0577e404c3e5 | mp-2236954 | Delete all atoms within 3.809 angstrom around the atom at index 13 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 CoO2F2
_chemical_formula_sum "Co1 O2 F2"
_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_grou... |
DeleteAroundAtomAction | b90c6821-3f93-46d5-abc4-f62dce163a46 | mp-1032565 | Delete all atoms within 3.544 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg2O4
_chemical_formula_sum "Mg2 O4"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 | 2dca895a-4d17-4c50-bd19-37d647abadab | mp-1079659 | Delete all atoms within 2.714 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 B2Mo
_chemical_formula_sum "B2 Mo1"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 | bb7ca746-98cb-433e-8d00-39a45fe594e8 | mp-753901 | Delete all atoms within 3.291 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cu2O3
_chemical_formula_sum "Cu2 O3"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 1081c157-9dd5-4e35-b047-35a7bc29d686 | mp-863373 | Delete all atoms within 2.947 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li10Co12P11O44
_chemical_formula_sum "Li10 Co12 P11 O44"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | b5a2b1dd-97cd-4f28-8af7-8897949e96fb | mp-31691 | Delete all atoms within 3.439 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li3Cr4P7O20
_chemical_formula_sum "Li3 Cr4 P7 O20"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... |
DeleteAroundAtomAction | 10add54a-427d-4d9c-89bd-3a820ab461f3 | mp-1233765 | Delete all atoms within 3.605 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH9Br2N2O
_chemical_formula_sum "Mg1 H9 Br2 N2 O1"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_spac... |
DeleteAroundAtomAction | eb82df6a-e19b-4e13-9697-33dd979b6036 | mp-1104062 | Delete all atoms within 2.571 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga2Se7
_chemical_formula_sum "Sr2 Ga2 Se7"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... |
DeleteAroundAtomAction | ec893025-a080-45ce-876c-eb29e235cdbb | mp-1223078 | Delete all atoms within 3.032 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural LaPtO4
_chemical_formula_sum "La1 Pt1 O4"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_H... |
DeleteAroundAtomAction | 56bf6de4-3540-4575-98d6-5f119d52a71f | mp-1079383 | Delete all atoms within 3.382 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural InCu4
_chemical_formula_sum "In1 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... |
DeleteAroundAtomAction | 1673082d-aeac-48d7-98a6-139ac8b86acf | mp-753944 | Delete all atoms within 3.277 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li5Mn5O8F4
_chemical_formula_sum "Li5 Mn5 O8 F4"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_gr... |
DeleteAroundAtomAction | f56c2ddf-c2ef-45a6-baef-2e27af7bbc79 | mp-557540 | Delete all atoms within 3.666 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb5Ag3Sb3S15
_chemical_formula_sum "Rb5 Ag3 Sb3 S15"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
DeleteAroundAtomAction | ae8d2d84-d877-4de4-9ff6-f5bc0bec2708 | mp-1239127 | Delete all atoms within 3.933 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Hf3Cr3Cu2S9
_chemical_formula_sum "Hf3 Cr3 Cu2 S9"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | cf1001eb-57bf-48e0-8085-a8e659531f09 | mp-2215902 | Delete all atoms within 3.089 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCuRhO
_chemical_formula_sum "Mg1 Cu1 Rh1 O1"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_space_g... |
DeleteAroundAtomAction | 9fc4c3e3-f152-4ba0-a73e-50bf085c2587 | mp-21286 | Delete all atoms within 2.862 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MnCoGe3
_chemical_formula_sum "Mn1 Co1 Ge3"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d5e954e0-3543-4f1a-a52c-8b19a11cff6b | mp-770748 | Delete all atoms within 3.237 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd11Ta4O20
_chemical_formula_sum "Gd11 Ta4 O20"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 | c0738323-745a-407c-b3e7-5468a88099de | mp-1212973 | Delete all atoms within 2.569 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3TiO6
_chemical_formula_sum "Eu3 Ti1 O6"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_s... |
DeleteAroundAtomAction | 0741c729-071a-42d7-9d9d-9f3a33b56632 | mp-1181553 | Delete all atoms within 3.401 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy8
_chemical_formula_sum "Dy8"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_name_H-M_al... |
DeleteAroundAtomAction | a108e245-a058-4594-bdb0-b6d03dd7a623 | mp-1193684 | Delete all atoms within 3.002 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe3Si3O10
_chemical_formula_sum "Fe3 Si3 O10"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... |
DeleteAroundAtomAction | d1458731-14f7-44b0-a9e5-54a6eaba27f2 | mp-23792 | Delete all atoms within 2.669 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural NaCa2Si5H2O17
_chemical_formula_sum "Na1 Ca2 Si5 H2 O17"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_s... |
DeleteAroundAtomAction | 1d959b78-ad0e-41bb-b6c9-8d8b3dc9f969 | mp-613 | Delete all atoms within 3.793 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural TePd
_chemical_formula_sum "Te1 Pd1"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 413eabfc-6f39-48df-8b79-786912677d21 | mp-1194067 | Delete all atoms within 3.683 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural NaH4SO5F
_chemical_formula_sum "Na1 H4 S1 O5 F1"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | a88e70dc-b26d-4515-aa21-ea5e2d1ad625 | mp-1228692 | Delete all atoms within 3.527 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr6P11O44
_chemical_formula_sum "Ba1 Ca1 Zr6 P11 O44"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... |
DeleteAroundAtomAction | 39503ef7-6f12-4b03-b78d-4cf8fe353ce3 | mp-2217543 | Delete all atoms within 2.269 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoPO3
_chemical_formula_sum "Mg1 Co1 P1 O3"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spac... |
DeleteAroundAtomAction | 71ef4cb1-dbaa-4aa1-8b65-66855a747cde | mp-1204580 | Delete all atoms within 2.278 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2H10S2N2O18
_chemical_formula_sum "Nd2 H10 S2 N2 O18"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | cf8f3408-bbae-4689-91e0-915e2c6a9f10 | mp-1041307 | Delete all atoms within 2.894 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural HoZnW2O8
_chemical_formula_sum "Ho1 Zn1 W2 O8"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 804f3fc2-ade2-42a1-a988-152a7ab3bd32 | mp-758242 | Delete all atoms within 3.895 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural LiP5W3O13
_chemical_formula_sum "Li1 P5 W3 O13"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.79762881000000... |
DeleteAroundAtomAction | da977465-fc08-4245-9094-6f206d66402b | mp-1209592 | Delete all atoms within 2.184 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P7O23
_chemical_formula_sum "P7 O23"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | ca670cda-110d-429c-88ba-d88c046be911 | mp-600520 | Delete all atoms within 1.538 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C7O15
_chemical_formula_sum "Sr2 Cu2 H8 C7 O15"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 0075c5ad-53e0-4b66-aaf2-bbc010892ddd | mp-768946 | Delete all atoms within 3.384 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li4CrCoO10
_chemical_formula_sum "Li4 Cr1 Co1 O10"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_group... |
DeleteAroundAtomAction | afdd74ce-e888-49c0-acff-dd01a73847cf | mp-1233765 | Delete all atoms within 3.022 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH14Br4N2O2
_chemical_formula_sum "Mg1 H14 Br4 N2 O2"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... |
DeleteAroundAtomAction | a4d2b08a-2340-4362-a9d9-fc2fe1f8da8d | mp-1638898 | Delete all atoms within 1.919 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural Li4Fe2PH2O9
_chemical_formula_sum "Li4 Fe2 P1 H2 O9"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.825206
... |
DeleteAroundAtomAction | ffff7a47-5b78-4213-a34d-22d0cc31a1b2 | mp-1522800 | Delete all atoms within 2.954 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
... |
DeleteAroundAtomAction | 762c67b5-60ad-4b79-9acd-b4f356fd74af | mp-696283 | Delete all atoms within 3.603 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural S6N5O
_chemical_formula_sum "S6 N5 O1"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | c602a0db-abe7-4312-9a45-faa45210be33 | mp-2898998 | Delete all atoms within 3.794 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural CaMnO2
_chemical_formula_sum "Ca1 Mn1 O2"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space_g... |
DeleteAroundAtomAction | 0d497b8c-1bae-4c8c-8642-3cb4c8b61c5d | mp-1200470 | Delete all atoms within 3.404 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 Ca5Co6Sn21
_chemical_formula_sum "Ca5 Co6 Sn21"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 | ef5d307e-7483-4aaa-b596-3ab730d47c9d | mp-1208510 | Delete all atoms within 2.583 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFeO7
_chemical_formula_sum "Sr2 Y1 Fe1 O7"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 | a815a5f4-d710-44d3-8352-a351d56381eb | mp-1195087 | Delete all atoms within 3.627 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl12Pb4Se8
_chemical_formula_sum "Tl12 Pb4 Se8"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | a4ca0687-1b62-4208-be8e-6884658badc8 | mp-5861 | Delete all atoms within 2.198 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 Tm8Fe55B3
_chemical_formula_sum "Tm8 Fe55 B3"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 | 2edd7571-b0aa-4d28-b7b6-58b6a334afd2 | mp-1199296 | Delete all atoms within 3.619 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd3P9Ru15
_chemical_formula_sum "Gd3 P9 Ru15"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | eecf7b1a-8b33-4d24-b5b5-4a689ff4e068 | mp-1213886 | Delete all atoms within 3.546 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce5Tl7F30
_chemical_formula_sum "Ce5 Tl7 F30"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 624e6e3b-a4e3-4fcd-9aa7-e069345e1fe9 | mp-1104546 | Delete all atoms within 2.861 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural CoB4Mo2
_chemical_formula_sum "Co1 B4 Mo2"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H-... |
DeleteAroundAtomAction | 63d533d3-1cc9-48f8-bffa-41e096e22ecc | mp-1644899 | Delete all atoms within 1.321 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C7O23
_chemical_formula_sum "Li6 V4 C7 O23"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
DeleteAroundAtomAction | 2c93ebbf-fffe-406e-9d86-5ac4e457a872 | mp-1247503 | Delete all atoms within 2.061 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn3Cu2N3
_chemical_formula_sum "Mn3 Cu2 N3"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 | 14a3ec21-b636-48b4-a9a8-919e4a0309a3 | mp-1033104 | Delete all atoms within 2.328 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 Mg4O7
_chemical_formula_sum "Mg4 O7"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 | 6c5a5c8a-26f3-4d2b-ac3c-6b55120c77f5 | mp-1019708 | Delete all atoms within 2.002 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li3P7O27
_chemical_formula_sum "Cs4 Ba4 Li3 P7 O27"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
DeleteAroundAtomAction | 74ce8359-972c-43c7-9661-97bdaac966f2 | mp-780331 | Delete all atoms within 1.731 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural Li4Mn4P3O15
_chemical_formula_sum "Li4 Mn4 P3 O15"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... |
DeleteAroundAtomAction | 37a6156a-0679-4412-9643-4b4a8509a257 | mp-540267 | Delete all atoms within 3.306 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural CrP2O4
_chemical_formula_sum "Cr1 P2 O4"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_name... |
DeleteAroundAtomAction | 71b8efee-2c77-4f74-9f2d-f7e2566ec89c | mp-1147737 | Delete all atoms within 2.135 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnPS7
_chemical_formula_sum "Li4 Zn1 P1 S7"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_grou... |
DeleteAroundAtomAction | db7125ec-d373-4d25-8e75-2b73e76f47b9 | mp-1193573 | Delete all atoms within 3.87 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni5Ge4
_chemical_formula_sum "Eu2 Ni5 Ge4"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.12144573999998... |
DeleteAroundAtomAction | 8618e017-1e00-4afc-9f9d-fa27221243aa | mp-755181 | Delete all atoms within 3.272 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V2O2F
_chemical_formula_sum "V2 O2 F1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_H... |
DeleteAroundAtomAction | 32f0d02a-9cd1-4eed-b14a-6e1149da4980 | mp-1103845 | Delete all atoms within 2.918 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural S2O
_chemical_formula_sum "S2 O1"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
_space_gro... |
DeleteAroundAtomAction | 58306c07-53fe-4cde-b555-63183d4e0f23 | mp-1216936 | Delete all atoms within 3.416 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural UTeSe4
_chemical_formula_sum "U1 Te1 Se4"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 4ad246e3-c28d-41af-a3db-bd946271136e | mp-734561 | Delete all atoms within 3.822 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb5P2H7O13
_chemical_formula_sum "Rb5 P2 H7 O13"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... |
DeleteAroundAtomAction | 7ca52af0-a342-42bc-9672-550716c9602e | mp-1110620 | Delete all atoms within 3.762 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural NaTlCo
_chemical_formula_sum "Na1 Tl1 Co1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.999999589999994
_sp... |
DeleteAroundAtomAction | b88b1cfd-bae5-41c7-a572-994ba397defe | mp-695890 | Delete all atoms within 2.283 angstrom around the atom at index 61 in the cif file. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 Mg17Si5H8O35
_chemical_formula_sum "Mg17 Si5 H8 O35"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 | 2699d8ef-8866-4821-87ed-4a7f80fef09b | mp-2228948 | Delete all atoms within 2.304 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2HO8
_chemical_formula_sum "Mg1 Sb2 P2 H1 O8"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707888... |
DeleteAroundAtomAction | 602644e1-e74d-4e62-bf93-a0e5c3310865 | mp-1045731 | Delete all atoms within 3.987 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca7Sb6As15Se6O50
_chemical_formula_sum "Ca7 Sb6 As15 Se6 O50"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... |
DeleteAroundAtomAction | 634f9030-9cbc-4d6c-86e8-f06bae6b84c1 | mp-800838 | Delete all atoms within 1.304 angstrom around the atom at index 62 in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H28O29
_chemical_formula_sum "Mn2 Al2 P4 H28 O29"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... |
DeleteAroundAtomAction | 45126345-e9f6-409f-9706-1cec7280f4cd | mp-556061 | Delete all atoms within 3.686 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb6F33
_chemical_formula_sum "Cs4 Sb6 F33"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 59e16f69-ade0-49e0-8be7-e19c2d386d20 | mp-1042925 | Delete all atoms within 3.723 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca3V2As6O21
_chemical_formula_sum "Ca3 V2 As6 O21"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 410fac4c-8ede-4723-b101-b1b13e6bb0e5 | mp-1207874 | Delete all atoms within 2.85 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si4Ni9
_chemical_formula_sum "Y6 Si4 Ni9"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
DeleteAroundAtomAction | f9024314-0f84-4297-895f-4bf1dcc02f4d | mp-17777 | Delete all atoms within 2.01 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural Sr10As5O23F2
_chemical_formula_sum "Sr10 As5 O23 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... |
DeleteAroundAtomAction | c8be05cb-46a4-4b37-b907-94f21ff4fe78 | mp-697253 | Delete all atoms within 3.755 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural H2CNF2
_chemical_formula_sum "H2 C1 N1 F2"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_name_H-M_a... |
DeleteAroundAtomAction | c092c5c5-7010-4d99-91cd-99d47782297e | mp-16491 | Delete all atoms within 3.906 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Al3Co2
_chemical_formula_sum "Al3 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | f6fe13cc-37d5-4736-b522-9c79a5a465a5 | mp-1194512 | Delete all atoms within 1.966 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V4Cu5O14
_chemical_formula_sum "V4 Cu5 O14"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | d1c4ec81-29ac-488c-91d1-f102adc08c1f | mp-1196678 | Delete all atoms within 3.893 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural In2Ag2P7H5O24
_chemical_formula_sum "In2 Ag2 P7 H5 O24"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 37fa26e0-6898-431b-91b5-4baf14fbec9d | mp-23963 | Delete all atoms within 1.653 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H3I4O11
_chemical_formula_sum "H3 I4 O11"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 | bd00fa9a-8220-4b55-8b8f-ab0b9a5e5e52 | mp-1228061 | Delete all atoms within 3.837 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu2BrO4
_chemical_formula_sum "Cu2 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 216002df-63ba-4f9b-9817-872879004941 | mp-1342975 | Delete all atoms within 3.941 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca2O8
_chemical_formula_sum "Ca2 O8"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_space_group_... |
DeleteAroundAtomAction | 67f441f5-b4f7-42ff-ae08-171d2cb2a0fd | mp-1028276 | Delete all atoms within 3.948 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | db88eadb-17b5-4187-a976-79d4d1647735 | mp-1238837 | Delete all atoms within 3.638 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B14H13
_chemical_formula_sum "B14 H13"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
DeleteAroundAtomAction | 59bc79e5-6616-49bb-88e3-9a4e2f1515a4 | mp-561248 | Delete all atoms within 3.578 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm7Cu5Te5S4
_chemical_formula_sum "Sm7 Cu5 Te5 S4"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 | dc6311c1-943f-4b50-b6b5-b4e18b0cbf8b | mp-7492 | Delete all atoms within 3.723 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural B
_chemical_formula_sum "B1"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | cdea77a8-5103-40a0-aada-003aeb34bdc4 | mp-767328 | Delete all atoms within 1.827 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe5Si6O23
_chemical_formula_sum "Li5 Fe5 Si6 O23"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... |
DeleteAroundAtomAction | 6a705142-40f7-4412-a3ca-d8ff37361ba1 | mp-1147737 | Delete all atoms within 3.832 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li2ZnS3
_chemical_formula_sum "Li2 Zn1 S3"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_group_na... |
DeleteAroundAtomAction | 7966630f-97ca-49b2-8e71-05b67ff5741f | mp-1046667 | Delete all atoms within 2.548 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2Co2PO6
_chemical_formula_sum "Mg2 Co2 P1 O6"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
_s... |
DeleteAroundAtomAction | 352156c6-5092-44d4-b946-9aa23c4cac49 | mp-1198574 | Delete all atoms within 3.616 angstrom around the atom at index 30 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 Mg3H24C9N5O20
_chemical_formula_sum "Mg3 H24 C9 N5 O20"
_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 | ef869b13-0969-4a9c-9214-b4c4a181a18f | mp-2646935 | Delete all atoms within 3.13 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural GdRuO7
_chemical_formula_sum "Gd1 Ru1 O7"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | fa6afef2-2b37-4af4-8dc9-27823e9bf58e | mp-568136 | Delete all atoms within 3.778 angstrom around the atom at index 24 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 Rb4V4Br15
_chemical_formula_sum "Rb4 V4 Br15"
_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 | 2a5b9cde-feb6-418f-a028-e812bc40da9c | mp-541140 | Delete all atoms within 2.759 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe6S15
_chemical_formula_sum "Tl12 Fe6 S15"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 | fe1949c1-7b42-42b3-830d-4fe80a533612 | mp-1211422 | Delete all atoms within 3.516 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KPt2Br4N2
_chemical_formula_sum "K1 Pt2 Br4 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "P... |
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