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 | e6d2f328-2648-40b6-b0d9-93d5035f700d | mp-3855 | Delete all atoms within 3.895 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na3BeF6
_chemical_formula_sum "Na3 Be1 F6"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | dc8e7889-e409-4368-82ab-c2dbc542714c | mp-1203399 | Delete all atoms within 3.373 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 Sm3Cd23
_chemical_formula_sum "Sm3 Cd23"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 | 4aef4a87-8783-4e0f-8ef4-2c6b8eae6de4 | mp-1226097 | Delete all atoms within 2.524 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr4CoCuSe11
_chemical_formula_sum "Cr4 Co1 Cu1 Se11"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_group... |
DeleteAroundAtomAction | 183c46bc-3b33-4ba3-94c5-d97390e2bb74 | mp-694989 | Delete all atoms within 2.639 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe8As11O12
_chemical_formula_sum "Sr2 Nd10 Fe8 As11 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.78643... |
DeleteAroundAtomAction | 045a64c6-da57-413e-8ea6-39d4c9de27e1 | mp-1102445 | Delete all atoms within 3.237 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural PrNi2
_chemical_formula_sum "Pr1 Ni2"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M_... |
DeleteAroundAtomAction | ae4f38ad-0f99-4ba6-9e6a-ba5d0954e891 | mp-559303 | Delete all atoms within 3.229 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo3S12N7Cl31
_chemical_formula_sum "Mo3 S12 N7 Cl31"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
DeleteAroundAtomAction | 9d4ed5e9-144a-4d0c-b797-01d2c27ee13d | mp-752 | Delete all atoms within 3.871 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn24Si44
_chemical_formula_sum "Mn24 Si44"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... |
DeleteAroundAtomAction | 4c1ef5ab-b6b7-4333-a1b1-f5694cedf971 | mp-13211 | Delete all atoms within 3.483 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural AgTe3O4
_chemical_formula_sum "Ag1 Te3 O4"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_space_... |
DeleteAroundAtomAction | d13ab17f-87dd-47f2-8280-0f114bdf693c | mp-1246483 | Delete all atoms within 3.649 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li4N4
_chemical_formula_sum "Li4 N4"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
DeleteAroundAtomAction | 07061881-9961-48a5-bbb6-b935ef0fd761 | mp-27148 | Delete all atoms within 2.356 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be7P12
_chemical_formula_sum "Be7 P12"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
DeleteAroundAtomAction | 7111df70-3154-4c05-9bcd-af66ccddaae6 | mp-559136 | Delete all atoms within 2.501 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H28N8O38
_chemical_formula_sum "Ca4 H28 N8 O38"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d6e1357c-18a9-43ac-9605-eae2819a9980 | mp-1044904 | Delete all atoms within 2.166 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W11O27
_chemical_formula_sum "Y4 Si2 Sb2 W11 O27"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... |
DeleteAroundAtomAction | 4c1fbdeb-c773-4d48-a187-1ad5b18bb8a0 | mp-1341052 | Delete all atoms within 2.539 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 Ca3W4O8
_chemical_formula_sum "Ca3 W4 O8"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 | 60771c8c-1c63-4f1b-af24-5a0043b3db40 | mp-1036398 | Delete all atoms within 3.977 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg6AlO7
_chemical_formula_sum "Mg6 Al1 O7"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 | f642cf17-813d-49d7-9ec2-5a4157501359 | mp-866712 | Delete all atoms within 3.732 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... | data_image0
_chemical_formula_structural RbP4O10
_chemical_formula_sum "Rb1 P4 O10"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_group_name_H-... |
DeleteAroundAtomAction | 98ed54b2-0b5c-4064-ac7e-6d1bb7dfb157 | mp-1200799 | Delete all atoms within 2.479 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca7P8O40
_chemical_formula_sum "Ca7 P8 O40"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | f3eb6431-4f6c-4214-bd06-a5326cf5f136 | mp-767946 | Delete all atoms within 3.896 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... | data_image0
_chemical_formula_structural MnV2SbP5O13
_chemical_formula_sum "Mn1 V2 Sb1 P5 O13"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_spa... |
DeleteAroundAtomAction | 83cd29ed-821a-42a4-90e2-3af35fb7c74a | mp-30156 | Delete all atoms within 3.087 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 Li2Mg2N
_chemical_formula_sum "Li2 Mg2 N1"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 | a9ece4b0-260b-4b43-acfb-aa0f40d64b47 | mp-676210 | Delete all atoms within 2.738 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... | data_image0
_chemical_formula_structural Li4Ti3Cl7
_chemical_formula_sum "Li4 Ti3 Cl7"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_gro... |
DeleteAroundAtomAction | cea59610-6712-4d11-a3a0-db97e510831a | mp-1213236 | Delete all atoms within 3.5 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 La3P12O48
_chemical_formula_sum "La3 P12 O48"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 | e537e453-821d-47e1-90f2-d1c5407fe2cb | mp-571288 | Delete all atoms within 2.877 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2TaAg3Se7
_chemical_formula_sum "K2 Ta1 Ag3 Se7"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H-... |
DeleteAroundAtomAction | c1070fdb-4c48-4528-bc7f-ab390cbb7d37 | mp-2713621 | Delete all atoms within 2.489 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na11Zr4Ti4Si8P4O45
_chemical_formula_sum "Na11 Zr4 Ti4 Si8 P4 O45"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | 194c405b-e91e-4e61-ada2-eb33dddd0055 | mp-27741 | Delete all atoms within 3.329 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural TeAu3I3
_chemical_formula_sum "Te1 Au3 I3"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | cd466be3-f30d-4072-997c-aad792fd951a | mp-1016342 | Delete all atoms within 3.497 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 SrMg4Sb2
_chemical_formula_sum "Sr1 Mg4 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | 5d259133-0eea-4fa3-838d-43b6f4555572 | mp-561248 | Delete all atoms within 3.496 angstrom around the atom at index 30 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 Sm4Cu7Te8S7
_chemical_formula_sum "Sm4 Cu7 Te8 S7"
_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 | 5fa80c37-066c-4482-af42-8fe09b9a440a | mp-1178123 | Delete all atoms within 2.715 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li3Co5O14
_chemical_formula_sum "Li3 Co5 O14"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... |
DeleteAroundAtomAction | fd48a2af-c7a0-4441-b997-401592ea9e3b | mp-2232163 | Delete all atoms within 2.624 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural FeSO4F
_chemical_formula_sum "Fe1 S1 O4 F1"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
_space_g... |
DeleteAroundAtomAction | 4318726e-9feb-4d3b-9643-1bf8ce8a96eb | mp-2218162 | Delete all atoms within 3.614 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi2O3
_chemical_formula_sum "Mg1 Nb1 Bi2 O3"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... |
DeleteAroundAtomAction | f2ecf22f-4b02-482a-af64-a78c253ac720 | mp-2227447 | Delete all atoms within 3.389 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural Mn2O2
_chemical_formula_sum "Mn2 O2"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_space_group_n... |
DeleteAroundAtomAction | da0a956c-a8b7-47b3-9a2d-e8da5b4e10e9 | mp-757417 | Delete all atoms within 3.586 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li2Mn2NiP2O7
_chemical_formula_sum "Li2 Mn2 Ni1 P2 O7"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
DeleteAroundAtomAction | f4aa071b-69ae-44ab-986f-48fc8ec1bb2c | mp-1182309 | Delete all atoms within 2.228 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural Ca2B4O18
_chemical_formula_sum "Ca2 B4 O18"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... |
DeleteAroundAtomAction | ced9fcb6-cf39-4182-9318-767c5348d530 | mp-2217709 | Delete all atoms within 2.957 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiBi2O2
_chemical_formula_sum "Mg1 Ti1 Bi2 O2"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 0b840dd1-f860-40ed-9227-aec874873067 | mp-755742 | Delete all atoms within 2.512 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho3Sb4O10
_chemical_formula_sum "Ho3 Sb4 O10"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... |
DeleteAroundAtomAction | dc35c0fb-eff5-457c-9153-db558a1a6bb8 | mp-729312 | Delete all atoms within 3.109 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K8In3Br19O3
_chemical_formula_sum "K8 In3 Br19 O3"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 | ed4b7dbc-78c0-4cb7-bddc-1d827c784ce1 | mp-770481 | Delete all atoms within 2.382 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta7PO24
_chemical_formula_sum "Ta7 P1 O24"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
DeleteAroundAtomAction | 4de148d6-f6cc-459f-83c6-6e8bfb67312c | mp-24598 | Delete all atoms within 2.415 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V3P7H16O39
_chemical_formula_sum "Ba4 V3 P7 H16 O39"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 1688b2c0-83dd-4c20-80cf-0b9d0f36a13c | mp-762633 | Delete all atoms within 2.976 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural Mn2O2
_chemical_formula_sum "Mn2 O2"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_group_name_H-M... |
DeleteAroundAtomAction | 1b580a2a-dead-4f05-910a-53e1637ae302 | mp-1174239 | Delete all atoms within 3.349 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li5Co3O6
_chemical_formula_sum "Li5 Co3 O6"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-M_... |
DeleteAroundAtomAction | d9c9b71d-8a1a-4766-b71f-82d03ae6c9a8 | mp-772861 | Delete all atoms within 3.871 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 Ba2Sr6I23
_chemical_formula_sum "Ba2 Sr6 I23"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 | 904b2330-9e4d-4fb5-a467-1dcaea125b08 | mp-753328 | Delete all atoms within 2.849 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural LiMn2CoO9
_chemical_formula_sum "Li1 Mn2 Co1 O9"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_group_na... |
DeleteAroundAtomAction | 76a8e589-7644-4d51-a1bb-e7fa61f1ed5c | mp-1207972 | Delete all atoms within 2.823 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4TiGe6
_chemical_formula_sum "U4 Ti1 Ge6"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | e6b8bdb7-114a-4e40-b312-a877f16fb382 | mp-650121 | Delete all atoms within 2.577 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li10Se5O23
_chemical_formula_sum "Li10 Se5 O23"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... |
DeleteAroundAtomAction | 46b1ce26-087d-4e04-97aa-10a1bdb3a31e | mp-13602 | Delete all atoms within 3.526 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd11As4O24
_chemical_formula_sum "Cd11 As4 O24"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 5e1afcf9-0e33-41e5-a108-34c80ba6646a | mp-1223550 | Delete all atoms within 1.757 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP3N3O15
_chemical_formula_sum "K1 P3 N3 O15"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 | e1a59332-1ccf-4698-bd1a-28e0cbfcb637 | mp-763659 | Delete all atoms within 3.009 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural LiVO
_chemical_formula_sum "Li1 V1 O1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_space_group_na... |
DeleteAroundAtomAction | a2009959-729d-4a25-a163-425d87a5b88a | mp-1044237 | Delete all atoms within 3.851 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural CaTiVO12
_chemical_formula_sum "Ca1 Ti1 V1 O12"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_group_name... |
DeleteAroundAtomAction | b0b7073e-d6ad-45b4-874c-c6a15e328d61 | mp-28179 | Delete all atoms within 3.164 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta3Cl23
_chemical_formula_sum "Na4 Ta3 Cl23"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d3b4ecf1-f83c-48db-a3b6-db994e74ccc9 | mp-1235350 | Delete all atoms within 2.934 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural Rb4LiSe2O10
_chemical_formula_sum "Rb4 Li1 Se2 O10"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... |
DeleteAroundAtomAction | 85d06138-ccd8-485f-8a2c-79e4cfb1ab38 | mp-1228441 | Delete all atoms within 3.523 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba4Hg26
_chemical_formula_sum "Ba4 Hg26"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 67bbc8b6-39da-46f7-a632-0eb0f4bb67c5 | mp-1214242 | Delete all atoms within 2.267 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be5Ag8P5Br2O23
_chemical_formula_sum "Be5 Ag8 P5 Br2 O23"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | df2ee907-16c9-4fb4-9e7d-c58cab1f510e | mp-1047887 | Delete all atoms within 3.76 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgCo5P4O16
_chemical_formula_sum "Mg1 Co5 P4 O16"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | ad904020-c499-4454-ba55-4a0fa2c39310 | mp-1113640 | Delete all atoms within 2.789 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb2Cl5
_chemical_formula_sum "Rb2 Cl5"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... |
DeleteAroundAtomAction | fa487fe2-eefb-4082-865d-eeb6b9caa9c4 | mp-780727 | Delete all atoms within 3.945 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural V
_chemical_formula_sum "V1"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 153db335-44d3-4d1d-bf70-366c9cc2a404 | mp-1207697 | Delete all atoms within 2.912 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural ZrCuF4
_chemical_formula_sum "Zr1 Cu1 F4"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H-... |
DeleteAroundAtomAction | e8af5653-5dea-426d-b0c6-f991ef3c9010 | mp-1176342 | Delete all atoms within 3.221 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na5V5O7
_chemical_formula_sum "Na5 V5 O7"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_al... |
DeleteAroundAtomAction | c2c9b456-bb2c-44a3-a5b1-a29f7c42b68f | mp-561176 | Delete all atoms within 2.333 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb7P4O4F51
_chemical_formula_sum "Sb7 P4 O4 F51"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | c2437790-5e42-4ef8-864b-bfa9b10f952a | mp-28802 | Delete all atoms within 3.746 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr2F7
_chemical_formula_sum "Sr2 F7"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_group_name_H-... |
DeleteAroundAtomAction | 2e4b6bd9-6dee-49c0-a2d6-73216010ae14 | mp-754011 | Delete all atoms within 2.463 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural LiBi3O11
_chemical_formula_sum "Li1 Bi3 O11"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.147... |
DeleteAroundAtomAction | e209eb35-fe7f-4862-a32e-7c3c65a5ef4b | mp-1227935 | Delete all atoms within 2.473 angstrom around the atom at index 71 in the cif file. | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca17Si3Ge8O43
_chemical_formula_sum "Ca17 Si3 Ge8 O43"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... |
DeleteAroundAtomAction | 03648369-915e-4809-9fde-6323eb410b44 | mp-767140 | Delete all atoms within 1.838 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn8P7O24
_chemical_formula_sum "Sn8 P7 O24"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... |
DeleteAroundAtomAction | 87145dfa-fa83-4e84-84d0-723654e48115 | mp-753160 | Delete all atoms within 2.679 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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... | data_image0
_chemical_formula_structural Bi3O4F3
_chemical_formula_sum "Bi3 O4 F3"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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 | 0f7917f0-47d9-4be5-abdf-8fb674dc1c13 | mp-1212060 | Delete all atoms within 3.472 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In3Pb8F21
_chemical_formula_sum "In3 Pb8 F21"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 7305ff4c-f5f4-4ac2-941b-be2a1716f78a | mp-729907 | Delete all atoms within 3.221 angstrom around the atom at index 42 in the cif file. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH41C14S7N2O13
_chemical_formula_sum "Ni1 H41 C14 S7 N2 O13"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... |
DeleteAroundAtomAction | e687f215-9950-4100-acd4-725a070b17eb | mp-1208177 | Delete all atoms within 2.573 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U4Co
_chemical_formula_sum "U4 Co1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gro... |
DeleteAroundAtomAction | 8a8f5a8c-f721-46af-b83a-d0f914f97cec | mp-1213447 | Delete all atoms within 3.152 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe7Si6O30F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe7 Si6 O30 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... |
DeleteAroundAtomAction | 5ce3c78f-ff62-4cf0-84e4-8203cd8844d4 | mp-1173638 | Delete all atoms within 3.3 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr9Ru4O11
_chemical_formula_sum "Sr9 Ru4 O11"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87.7102969... |
DeleteAroundAtomAction | 0c7cc59d-37ac-4cca-98ca-016004004b7f | mp-1192446 | Delete all atoms within 3.893 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb3SeNO9
_chemical_formula_sum "Pb3 Se1 N1 O9"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 | 44856c0c-82a3-415a-920a-77871ca19011 | mp-1200874 | Delete all atoms within 3.879 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce10Mg6Ni12
_chemical_formula_sum "Ce10 Mg6 Ni12"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | fc8f34a8-0a1a-43d3-85ca-a4e2169debe3 | mp-1080534 | Delete all atoms within 3.886 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural CsLiI4
_chemical_formula_sum "Cs1 Li1 I4"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H-M... |
DeleteAroundAtomAction | 3a642681-2e33-47b8-b02e-42a1867b8f74 | mp-1211020 | Delete all atoms within 3.696 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_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 Li3Ga3P13O38
_chemical_formula_sum "Li3 Ga3 P13 O38"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_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 | e3db0315-6652-4daa-876d-63c0dfa20dbf | mp-1204112 | Delete all atoms within 3.11 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S9N10Cl12
_chemical_formula_sum "Sn2 H8 S9 N10 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
DeleteAroundAtomAction | 191a12d1-416f-4df6-a3e2-38f7012361aa | mp-1177498 | Delete all atoms within 2.43 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li5V3P7H4O31
_chemical_formula_sum "Li5 V3 P7 H4 O31"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... |
DeleteAroundAtomAction | 876f46ba-0e58-47a0-9345-1e5da017371a | mp-769928 | Delete all atoms within 3.207 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural VO2
_chemical_formula_sum "V1 O2"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.04452314000001
_space_... |
DeleteAroundAtomAction | a3b83c7c-b5e2-45df-84a6-577bbb955f9e | mp-1192578 | Delete all atoms within 2.819 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2CaUSi3O12
_chemical_formula_sum "K2 Ca1 U1 Si3 O12"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999
... |
DeleteAroundAtomAction | eca255dc-53a7-407e-9a03-cd6b5b5801c8 | mp-1029771 | Delete all atoms within 3.739 angstrom around the atom at index 13 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 Ca4Re3N6
_chemical_formula_sum "Ca4 Re3 N6"
_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 | e74388d8-ec0f-44a5-b23d-e76459740fcf | mp-765581 | Delete all atoms within 3.086 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn7Cr4O12
_chemical_formula_sum "Mn7 Cr4 O12"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... |
DeleteAroundAtomAction | af4553cb-511f-4bdd-8d37-f60c04a7fb37 | mp-531566 | Delete all atoms within 2.581 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn13O42
_chemical_formula_sum "La16 Mn13 O42"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... |
DeleteAroundAtomAction | 0ba5a265-ccfa-4483-ba2d-09902e53c929 | mp-1198143 | Delete all atoms within 1.032 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H39O3
_chemical_formula_sum "Ca4 B8 H39 O3"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | 6c168655-671d-4e66-b438-aaef58ebcec5 | mp-24473 | Delete all atoms within 2.92 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be3P3H12N4O12
_chemical_formula_sum "Be3 P3 H12 N4 O12"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e52b788f-35f7-4417-999d-656209e7a068 | mp-1079383 | Delete all atoms within 3.741 angstrom around the atom at index 5 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 In
_chemical_formula_sum "In1"
_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_number ... |
DeleteAroundAtomAction | 7cb75a63-7f41-4ddf-9613-9402beaf0558 | mp-763831 | Delete all atoms within 3.127 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2O7F3
_chemical_formula_sum "Li9 Mn2 O7 F3"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_al... |
DeleteAroundAtomAction | f9653d0a-292e-4553-b2cb-02c34ae43a60 | mp-1177049 | Delete all atoms within 2.074 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li5Co3NiP6O23
_chemical_formula_sum "Li5 Co3 Ni1 P6 O23"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... |
DeleteAroundAtomAction | 49c98c76-4e5b-47fd-bbe0-f053c13652f9 | mp-8829 | Delete all atoms within 3.834 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr3Ga3Se8
_chemical_formula_sum "Cr3 Ga3 Se8"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 | bd85a625-c12d-4e57-9e1f-bd4fdff92150 | mp-1227095 | Delete all atoms within 3.072 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural PdF3
_chemical_formula_sum "Pd1 F3"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | 026f63c8-5430-46b0-a942-ea9e5a320fca | mp-1212808 | Delete all atoms within 3.397 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy4Rh
_chemical_formula_sum "Dy4 Rh1"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... |
DeleteAroundAtomAction | 655cfd7b-d893-4058-8215-44155dc7be86 | mp-557871 | Delete all atoms within 2.343 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural CuAsPb2O7
_chemical_formula_sum "Cu1 As1 Pb2 O7"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_grou... |
DeleteAroundAtomAction | c4462283-0e8b-4e99-8dcb-a9fc7b97322b | mp-849277 | Delete all atoms within 2.98 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4CuP6H2O16
_chemical_formula_sum "Li4 Cu1 P6 H2 O16"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... |
DeleteAroundAtomAction | 407b258b-a5b8-4b98-8188-b1276fbb4825 | mp-1208371 | Delete all atoms within 2.444 angstrom around the atom at index 21 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 Tl4N8Cl19O3
_chemical_formula_sum "Tl4 N8 Cl19 O3"
_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 | 6a0fecb5-8611-4958-8737-eb3046767839 | mp-758720 | Delete all atoms within 2.383 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural Li4Cu
_chemical_formula_sum "Li4 Cu1"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_space_... |
DeleteAroundAtomAction | b36b37cc-b88a-47a7-965e-4124cfcaffd3 | mp-1193386 | Delete all atoms within 2.457 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2Cr3FeO19
_chemical_formula_sum "Na2 Cr3 Fe1 O19"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_spa... |
DeleteAroundAtomAction | 826945f7-65a5-436d-a409-ed28a308b3c9 | mp-1223717 | Delete all atoms within 3.705 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural KAl5Si4H3O18
_chemical_formula_sum "K1 Al5 Si4 H3 O18"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.87468... |
DeleteAroundAtomAction | 9a9cbcda-69f7-40a3-bf5d-d9b7232cff4f | mp-754373 | Delete all atoms within 3.37 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural Na5Fe2O6
_chemical_formula_sum "Na5 Fe2 O6"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group_n... |
DeleteAroundAtomAction | 429dc572-245b-49ef-836d-a9b6368de1f8 | mp-1046426 | Delete all atoms within 2.023 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P3O12
_chemical_formula_sum "Sr2 V2 Zn2 P3 O12"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... |
DeleteAroundAtomAction | 567ca76c-e3cc-4f69-b857-050103431281 | mp-27271 | Delete all atoms within 3.758 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl14Ge7O23
_chemical_formula_sum "Tl14 Ge7 O23"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.392... |
DeleteAroundAtomAction | affeafb7-9823-4b00-8fe7-ad384b8bcd6e | mp-762830 | Delete all atoms within 2.091 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li3Mn2NbV3O15
_chemical_formula_sum "Li3 Mn2 Nb1 V3 O15"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... |
DeleteAroundAtomAction | eea6582b-7b04-42f1-b7d1-cf04650831fa | mp-1188770 | Delete all atoms within 3.386 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er11Co
_chemical_formula_sum "Er11 Co1"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 | 52e4eb2d-29b9-4620-80d3-aa980ca81bdc | mp-1197150 | Delete all atoms within 3.912 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 Li2Pr14Ge10
_chemical_formula_sum "Li2 Pr14 Ge10"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 | adabef54-c369-404c-85d1-2059f23ef8e7 | mp-1078203 | Delete all atoms within 3.616 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural Cs2Tl
_chemical_formula_sum "Cs2 Tl1"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_n... |
DeleteAroundAtomAction | d6675594-43fd-43c0-83c5-789022f6c82c | mp-28092 | Delete all atoms within 1.357 angstrom around the atom at index 88 in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B39H51O2
_chemical_formula_sum "B39 H51 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
DeleteAroundAtomAction | 49c1eb96-0a02-4d86-8bb8-ee9499faeb09 | mp-1192809 | Delete all atoms within 2.515 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N11O9
_chemical_formula_sum "Ag4 N11 O9"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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... |
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