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 | 6d65c1d5-92e1-4f10-953d-9e1e305e3ea4 | mp-1192120 | Delete all atoms within 3.575 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si2N4F8
_chemical_formula_sum "Si2 N4 F8"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.0323660... |
DeleteAroundAtomAction | d5671b54-8d66-4da6-ba52-61c8f1416337 | mp-1216954 | Delete all atoms within 3.022 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm4Sc6Ge5
_chemical_formula_sum "Tm4 Sc6 Ge5"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
DeleteAroundAtomAction | 3042277e-638c-4a99-803f-488cd3fd442e | mp-1204089 | Delete all atoms within 3.855 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs5Li5U5P11S41
_chemical_formula_sum "Cs5 Li5 U5 P11 S41"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... |
DeleteAroundAtomAction | 1f7ba08a-c6f2-4703-95bc-ccb744e4fe14 | mp-1193266 | Delete all atoms within 3.977 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural H8C3Cl2
_chemical_formula_sum "H8 C3 Cl2"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_space_group_na... |
DeleteAroundAtomAction | aeee0987-3430-47dc-8c54-72d884b82e5a | mp-2228948 | Delete all atoms within 2.705 angstrom around the atom at index 10 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 MgSbPH2O6
_chemical_formula_sum "Mg1 Sb1 P1 H2 O6"
_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 | 6bf96e4c-d666-4f3b-b1a0-f537ee2b919e | mp-1213259 | Delete all atoms within 3.858 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn26Sn14
_chemical_formula_sum "Mn26 Sn14"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 | 3772eb07-ccb3-4ef5-a46e-b14cfd3e3807 | mp-1028199 | Delete all atoms within 3.519 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 750e78e6-91e1-4564-a7d2-0f88e41dd4fc | mp-1202393 | Delete all atoms within 2.174 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al7B6O22
_chemical_formula_sum "U2 Al7 B6 O22"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | ba9f5143-7da0-4b23-9cfd-b283c40ada53 | mp-1174755 | Delete all atoms within 2.699 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li5Mn2Co3O11
_chemical_formula_sum "Li5 Mn2 Co3 O11"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... |
DeleteAroundAtomAction | bfb462b0-32e4-4342-8e71-622842bf9db4 | mp-1520190 | Delete all atoms within 2.934 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeIn
_chemical_formula_sum "Ba1 Ce1 In1"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
DeleteAroundAtomAction | 123f5e60-17dc-47fc-bf4e-1e44be32043b | mp-630329 | Delete all atoms within 3.411 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb5Se6O17
_chemical_formula_sum "Pb5 Se6 O17"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 02f847cd-b7af-4613-9ad9-5b35fc810820 | mp-1100732 | Delete all atoms within 3.681 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li6Mn2Co3O10
_chemical_formula_sum "Li6 Mn2 Co3 O10"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 67bbaacf-664a-4146-9cf2-690bc4c8b673 | mp-645694 | Delete all atoms within 3.631 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ce9Lu4Se21
_chemical_formula_sum "Ce9 Lu4 Se21"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 | ba04283b-0496-4e87-a991-06841d0ace95 | mp-554397 | Delete all atoms within 1.969 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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_n... | data_image0
_chemical_formula_structural Si6O15
_chemical_formula_sum "Si6 O15"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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_n... |
DeleteAroundAtomAction | 00e7308d-9fee-453e-a138-0bf99206c4fb | mp-2228450 | Delete all atoms within 2.692 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural CdO5
_chemical_formula_sum "Cd1 O5"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
_space_group_n... |
DeleteAroundAtomAction | 8ddf11fe-1ac8-43bb-ac07-be2920ec941b | mp-736701 | Delete all atoms within 2.92 angstrom around the atom at index 55 in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P14Pt4I4O35
_chemical_formula_sum "P14 Pt4 I4 O35"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
DeleteAroundAtomAction | df525ad2-b043-4813-8a20-6c318bf08bec | mp-560156 | Delete all atoms within 3.451 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Sr3Tl3V3O12
_chemical_formula_sum "Sr3 Tl3 V3 O12"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 8fffe78b-df7b-4dc2-a29c-51a3f9311ace | mp-1223453 | Delete all atoms within 2.589 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga4Au2
_chemical_formula_sum "La2 Ga4 Au2"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 | 6f76cec3-1de0-4b1e-94ee-e0522b0c2cbf | mp-13602 | Delete all atoms within 2.325 angstrom around the atom at index 42 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 Cd11As7O31
_chemical_formula_sum "Cd11 As7 O31"
_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 | d9b3935b-a61c-4782-b87c-8f3d21cc3738 | mp-1212542 | Delete all atoms within 3.007 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H15C5IN10O2
_chemical_formula_sum "H15 C5 I1 N10 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spac... |
DeleteAroundAtomAction | d896491b-a3ab-4607-ba3b-c1a909428c10 | mp-755195 | Delete all atoms within 2.776 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... | data_image0
_chemical_formula_structural Fe3O6F2
_chemical_formula_sum "Fe3 O6 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.701467... |
DeleteAroundAtomAction | d3f0d59e-a48b-4a74-8559-10daa16972ac | mp-770517 | Delete all atoms within 2.888 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li30Al4Ni6O28
_chemical_formula_sum "Li30 Al4 Ni6 O28"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 5ecf6543-7f22-4ba8-8051-b23894ab36bc | mp-12491 | Delete all atoms within 3.987 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural CsLa2Cd2Te3
_chemical_formula_sum "Cs1 La2 Cd2 Te3"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 8521e549-0da2-4bea-88cc-01a2340624e4 | mp-1517360 | Delete all atoms within 3.525 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 Ti2O5
_chemical_formula_sum "Ti2 O5"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 | 65ee7b67-b720-4148-993a-4774ec7e5b1e | mp-1213576 | Delete all atoms within 3.442 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu14Ni2Sb5S25N12
_chemical_formula_sum "Cu14 Ni2 Sb5 S25 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
DeleteAroundAtomAction | 6ffd5044-9ff0-42cb-ba73-04366aec3b0f | mp-556027 | Delete all atoms within 1.718 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Si4O11
_chemical_formula_sum "Si4 O11"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... |
DeleteAroundAtomAction | fff539b8-5cc9-4222-b003-46cee73f7491 | mp-16415 | Delete all atoms within 2.828 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... | data_image0
_chemical_formula_structural LaPd2O11
_chemical_formula_sum "La1 Pd2 O11"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
_... |
DeleteAroundAtomAction | 857b2b90-af7e-4b31-864f-43e27e2cda54 | mp-776235 | Delete all atoms within 3.366 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr5N5O2
_chemical_formula_sum "Zr5 N5 O2"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 | 61825b57-31d3-4a60-a724-c05a64902484 | mp-1111700 | Delete all atoms within 3.056 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na2Br5
_chemical_formula_sum "Na2 Br5"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
DeleteAroundAtomAction | bae4f827-443a-4f5d-95a5-303f9aef2d9d | mp-758121 | Delete all atoms within 2.433 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe3C6O12
_chemical_formula_sum "Fe3 C6 O12"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... |
DeleteAroundAtomAction | aa9e8887-b9e2-4577-b3ef-de778926cead | mp-1111403 | Delete all atoms within 2.635 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2Au
_chemical_formula_sum "Rb2 Au1"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | eb216068-ea27-4484-a696-ff3e4c0441ba | mp-558751 | Delete all atoms within 2.333 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi15O28
_chemical_formula_sum "Ca8 Bi15 O28"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... |
DeleteAroundAtomAction | 42647208-caaf-4aeb-ac27-80959d3a72dd | mp-1191760 | Delete all atoms within 2.149 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5VP3O14
_chemical_formula_sum "Na5 V1 P3 O14"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_grou... |
DeleteAroundAtomAction | b92e1f6c-027d-4f52-b640-2f10105bc0cd | mp-777849 | Delete all atoms within 2.941 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... | data_image0
_chemical_formula_structural Nb2P5WO16
_chemical_formula_sum "Nb2 P5 W1 O16"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... |
DeleteAroundAtomAction | ad766ebc-ee11-4dab-8bb9-74751213f42b | mp-9107 | Delete all atoms within 3.625 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2ZrS2
_chemical_formula_sum "Na2 Zr1 S2"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_name_H-M_a... |
DeleteAroundAtomAction | fa14e2a0-2f72-4724-9683-1604ee6485c8 | mp-770952 | Delete all atoms within 3.255 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li3Co2P3O7
_chemical_formula_sum "Li3 Co2 P3 O7"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | f68f6df8-5d07-47e1-9b50-e8274a9e3a7f | mp-1198961 | Delete all atoms within 2.226 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 Tl4Co4Br23N23
_chemical_formula_sum "Tl4 Co4 Br23 N23"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 | d992b45a-1608-4d53-a6f6-ddd7a43e3df2 | mp-1111648 | Delete all atoms within 3.598 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2Cl5
_chemical_formula_sum "K2 Cl5"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | cf431dcc-7e56-4c9b-8640-ef6abf80e846 | mp-1519755 | Delete all atoms within 3.11 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_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 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
... |
DeleteAroundAtomAction | 23fedf60-bddc-498a-b5cf-7057369f01c4 | mp-1212166 | Delete all atoms within 3.629 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LiEu2W2O9
_chemical_formula_sum "Li1 Eu2 W2 O9"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | dd845749-c09d-45c8-8c08-01ac5dfcbdab | mp-554508 | Delete all atoms within 2.81 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K3Y3P7O24
_chemical_formula_sum "K3 Y3 P7 O24"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | ab021bc7-5a2a-4370-9e73-c17abb475139 | mp-1234735 | Delete all atoms within 2.638 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... | data_image0
_chemical_formula_structural Mn8Si8O27
_chemical_formula_sum "Mn8 Si8 O27"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.7879029800000... |
DeleteAroundAtomAction | d9230ca0-0a07-489a-ab7f-134bd305399a | mp-1176984 | Delete all atoms within 1.711 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P11O47
_chemical_formula_sum "Li12 Mn2 V6 P11 O47"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... |
DeleteAroundAtomAction | a1047800-0446-49bb-be42-3fc868fef282 | mp-2229854 | Delete all atoms within 2.085 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4WO9
_chemical_formula_sum "Mg1 Pb4 W1 O9"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_space_g... |
DeleteAroundAtomAction | aaa87f06-f616-4ebe-bd64-528b1e783858 | mp-1102093 | Delete all atoms within 3.881 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 EuI7
_chemical_formula_sum "Eu1 I7"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 | fe05ad28-0ce5-4e93-9158-940ee1e60efc | mp-1517276 | Delete all atoms within 2.727 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrO5
_chemical_formula_sum "K1 Pr1 O5"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
DeleteAroundAtomAction | 18af8cf1-0064-4efd-8d09-86c709957a78 | mp-1095216 | Delete all atoms within 2.936 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural AsO3
_chemical_formula_sum "As1 O3"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.92896081000001
_... |
DeleteAroundAtomAction | c21c100b-9f59-4e16-b190-b45956e3e103 | mp-695305 | Delete all atoms within 3.501 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na5C7S7O17F22
_chemical_formula_sum "Na5 C7 S7 O17 F22"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... |
DeleteAroundAtomAction | 1080b613-3317-4b9f-a3ae-991b90e3b9a3 | mp-850204 | Delete all atoms within 3.754 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li3CoOF3
_chemical_formula_sum "Li3 Co1 O1 F3"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.38... |
DeleteAroundAtomAction | 82700a81-11da-4691-a1a3-85a63d199f35 | mp-998613 | Delete all atoms within 2.731 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... | data_image0
_chemical_formula_structural K2GeCl5
_chemical_formula_sum "K2 Ge1 Cl5"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-M... |
DeleteAroundAtomAction | 59a7bc1f-0c7b-42a6-95be-116f083fc701 | mp-1039951 | Delete all atoms within 3.195 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 CeMg21O26
_chemical_formula_sum "Ce1 Mg21 O26"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 | 02139acc-09c8-4f99-9a92-60c8909f1caf | mp-1192809 | Delete all atoms within 2.822 angstrom around the atom at index 24 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... |
DeleteAroundAtomAction | 1ec9305d-ed20-4563-aff0-567ddc68e1f7 | mp-757738 | Delete all atoms within 2.586 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe16Co4O31
_chemical_formula_sum "Fe16 Co4 O31"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... |
DeleteAroundAtomAction | 6f8f66dc-2624-43e4-b7f9-6a8ea07ebf98 | mp-726253 | Delete all atoms within 3.354 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural LiSO2
_chemical_formula_sum "Li1 S1 O2"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_group_name... |
DeleteAroundAtomAction | a27331ec-bcf1-426c-b2d8-290ed512ac25 | mp-684504 | Delete all atoms within 2.619 angstrom around the atom at index 40 in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li11Bi7P11O44
_chemical_formula_sum "Li11 Bi7 P11 O44"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 241a046c-a7dc-415d-bf43-b2b0f6b32ffb | mp-1034797 | Delete all atoms within 2.739 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural RbNaMg13O11
_chemical_formula_sum "Rb1 Na1 Mg13 O11"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 9b528bea-6bb3-473e-9c42-06bd89b56890 | mp-1229194 | Delete all atoms within 2.888 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ag2Au2I7O19
_chemical_formula_sum "Ag2 Au2 I7 O19"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | f492f216-4589-433d-910d-76e7ed0dc963 | mp-1209759 | Delete all atoms within 2.935 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pr3Sb2Pt4
_chemical_formula_sum "Pr3 Sb2 Pt4"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... |
DeleteAroundAtomAction | ad58e346-4bc4-432a-8121-b01196d719d2 | mp-1209918 | Delete all atoms within 3.43 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 Pd4O4
_chemical_formula_sum "Pd4 O4"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 | 656c557f-e4a3-4963-94e5-da04eb2aca49 | mp-753161 | Delete all atoms within 3.779 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li2VO3F3
_chemical_formula_sum "Li2 V1 O3 F3"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_gr... |
DeleteAroundAtomAction | 54dcfb38-9b4a-40b0-9703-fa5397aae87c | mp-1246029 | Delete all atoms within 2.676 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... | data_image0
_chemical_formula_structural Ca5Cr4N3
_chemical_formula_sum "Ca5 Cr4 N3"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... |
DeleteAroundAtomAction | 9d65ebf9-29b3-4db0-98dd-a35c694888e5 | mp-562239 | Delete all atoms within 3.564 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural V7P6Pb4O32
_chemical_formula_sum "V7 P6 Pb4 O32"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 0cc828cc-7552-4ed8-9b95-2782d0bdf63b | mp-1174751 | Delete all atoms within 3.521 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... | data_image0
_chemical_formula_structural Li4Mn2CoO9
_chemical_formula_sum "Li4 Mn2 Co1 O9"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space_gr... |
DeleteAroundAtomAction | c454f7e4-bee5-4d0f-850f-c2c944a36de2 | mp-1194859 | Delete all atoms within 3.733 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al3V3Te6O23
_chemical_formula_sum "Al3 V3 Te6 O23"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 213df28d-0cae-425a-a1d0-35546e6f2380 | mp-24598 | Delete all atoms within 1.895 angstrom around the atom at index 66 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 Ba4V4P7H15O39
_chemical_formula_sum "Ba4 V4 P7 H15 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 | 808e26df-b1bc-41be-b871-923f0cf6a763 | mp-1197379 | Delete all atoms within 3.188 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural YN6O18
_chemical_formula_sum "Y1 N6 O18"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H-... |
DeleteAroundAtomAction | d5816c60-907c-4317-882a-e2ec73df8b59 | mp-1044845 | Delete all atoms within 3.249 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba5Al3Fe6F22
_chemical_formula_sum "Ba5 Al3 Fe6 F22"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... |
DeleteAroundAtomAction | bafb81a2-fd11-47c8-8642-805a450801a7 | mp-1209559 | Delete all atoms within 2.573 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_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 Sc2Zn20B14Rh35
_chemical_formula_sum "Sc2 Zn20 B14 Rh35"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 8f15931e-5f01-4eb8-9d4b-422e5ef48ae2 | mp-1208371 | Delete all atoms within 3.497 angstrom around the atom at index 1 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 Tl3N8Cl17O4
_chemical_formula_sum "Tl3 N8 Cl17 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 92b332e3-e446-424d-a01f-9fa34845ea97 | mp-779533 | Delete all atoms within 3.477 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba11Br7O6
_chemical_formula_sum "Ba11 Br7 O6"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 | c1cb6dbc-55b0-4f85-aee9-01a48f198984 | mp-1202068 | Delete all atoms within 3.294 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural PdC6S7I4N14
_chemical_formula_sum "Pd1 C6 S7 I4 N14"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721
... |
DeleteAroundAtomAction | 57b57ec4-eef2-4969-87cc-870d26746d2e | mp-1211531 | Delete all atoms within 3.691 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
_space_group_n... |
DeleteAroundAtomAction | 59a94fb1-92d6-4951-a2b5-aa9c282c1119 | mp-570105 | Delete all atoms within 3.956 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K2PtC5I2N4
_chemical_formula_sum "K2 Pt1 C5 I2 N4"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 2913023b-b5fe-4db9-a232-cc6f6cc9d32e | mp-1213837 | Delete all atoms within 2.344 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2HfF13
_chemical_formula_sum "Ce2 Hf1 F13"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | c52a84b8-424f-4399-ac54-2baaca8a69aa | mp-1046426 | Delete all atoms within 3.748 angstrom around the atom at index 3 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 SrO7
_chemical_formula_sum "Sr1 O7"
_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 98.14936339
_space... |
DeleteAroundAtomAction | 69f3cce1-16fe-4cbe-8447-455fb165adc7 | mp-1208448 | Delete all atoms within 3.376 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Ga6
_chemical_formula_sum "Ga6"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 184e60ea-39fb-4c09-a9ea-3a59185de0d8 | mp-758121 | Delete all atoms within 1.92 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C5O17
_chemical_formula_sum "Fe4 C5 O17"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... |
DeleteAroundAtomAction | b8f80210-2b90-482e-a7bb-af62a1edb400 | mp-1211422 | Delete all atoms within 3.11 angstrom around the atom at index 4 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 K2PtBr5N2
_chemical_formula_sum "K2 Pt1 Br5 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... |
DeleteAroundAtomAction | 7b43f92d-0e3c-4ba2-b913-8f13b3789537 | mp-532443 | Delete all atoms within 3.268 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8V9Cl31
_chemical_formula_sum "Li8 V9 Cl31"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | f0e3c3e6-8833-4218-b4f4-d15db702a1fa | mp-1195795 | Delete all atoms within 2.984 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y10S18
_chemical_formula_sum "La4 Y10 S18"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
DeleteAroundAtomAction | 608c6586-dd9a-4634-9a6b-8c21bb40de50 | mp-1245465 | Delete all atoms within 2.912 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 Rb9MoN7
_chemical_formula_sum "Rb9 Mo1 N7"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 | 6152590b-65e7-4342-8002-f460e5e79388 | mp-758815 | Delete all atoms within 3.724 angstrom around the atom at index 73 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6Mn4P15O40
_chemical_formula_sum "Li6 Mn4 P15 O40"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 8b151152-52d4-45a5-8992-67e934a78436 | mp-1200323 | Delete all atoms within 2.867 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na11Nb4As8O30
_chemical_formula_sum "Na11 Nb4 As8 O30"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
DeleteAroundAtomAction | 67ad4a49-2b33-401d-954d-b245e02344a2 | mp-1185759 | Delete all atoms within 3.122 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... | data_image0
_chemical_formula_structural Mg13Al7Tl
_chemical_formula_sum "Mg13 Al7 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_group... |
DeleteAroundAtomAction | 5cf14fb3-dbd5-40fd-9dbc-dc58c6c18c77 | mp-22417 | Delete all atoms within 2.352 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... | data_image0
_chemical_formula_structural Li3Ni2P3O15
_chemical_formula_sum "Li3 Ni2 P3 O15"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... |
DeleteAroundAtomAction | e4900e85-7f9a-496a-8e60-eab17d178ca4 | mp-532718 | Delete all atoms within 2.652 angstrom around the atom at index 56 in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca5Nd5Mn10O35
_chemical_formula_sum "Ca5 Nd5 Mn10 O35"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | bd0c3b06-8d3b-420f-a066-fac8f1aeb36a | mp-559593 | Delete all atoms within 2.406 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S7N14F6
_chemical_formula_sum "P3 S7 N14 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
DeleteAroundAtomAction | d4b8b2bb-67e9-4082-949c-cec8758b0b5d | mp-557667 | Delete all atoms within 2.836 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb14O27
_chemical_formula_sum "Ge9 Pb14 O27"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... |
DeleteAroundAtomAction | 5d43944c-90d5-461e-8caf-367affb0f1a9 | mp-27382 | Delete all atoms within 3.742 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U6Tl7F28
_chemical_formula_sum "U6 Tl7 F28"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | bbaae1de-f4e8-4eb2-807a-0ed71d11221c | mp-1045679 | Delete all atoms within 1.804 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... | data_image0
_chemical_formula_structural Nb3Te2O15
_chemical_formula_sum "Nb3 Te2 O15"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... |
DeleteAroundAtomAction | eb8f750f-f25b-4df6-87db-db9937bb7aea | mp-6215 | Delete all atoms within 3.414 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural AsS4
_chemical_formula_sum "As1 S4"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 04eef9e6-70fd-40d0-9535-19b6e2e11fc1 | mp-1177575 | Delete all atoms within 2.216 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... | data_image0
_chemical_formula_structural Li2FeO7
_chemical_formula_sum "Li2 Fe1 O7"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_space_gr... |
DeleteAroundAtomAction | 2de20433-a8f5-4a86-90f3-222c8daff7b9 | mp-757246 | Delete all atoms within 1.976 angstrom around the atom at index 17 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 Li4Ti4V2O15
_chemical_formula_sum "Li4 Ti4 V2 O15"
_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
... |
DeleteAroundAtomAction | 3d4a017f-b125-461d-abba-eb0b6656fb21 | mp-1029918 | Delete all atoms within 3.338 angstrom around the atom at index 81 in the cif file. | data_image0
_chemical_formula_structural Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba10V22N40
_chemical_formula_sum "Ba10 V22 N40"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 7fa40de9-7acf-4241-8c90-0e5fc3b9f7df | mp-19408 | Delete all atoms within 2.287 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V6O19
_chemical_formula_sum "Li4 V6 O19"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 | 4eb59e91-5173-4857-8ac2-c96e02d608a6 | mp-661715 | Delete all atoms within 3.122 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl9O2
_chemical_formula_sum "Ti2 S2 Cl9 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_na... |
DeleteAroundAtomAction | 5ab00d7e-3d2b-45af-9cbb-80daf3a397e9 | mp-1182382 | Delete all atoms within 2.126 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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... | data_image0
_chemical_formula_structural Ca2O18
_chemical_formula_sum "Ca2 O18"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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 | 63f8b40b-7d8c-4fa2-acb1-4e3e43718537 | mp-1228061 | Delete all atoms within 3.858 angstrom around the atom at index 3 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 Ba3O2
_chemical_formula_sum "Ba3 O2"
_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 1"
_sp... |
DeleteAroundAtomAction | 7da6cec9-b70c-4a6f-8190-d9dc9e95e20c | mp-24674 | Delete all atoms within 3.801 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be2P2H3O8
_chemical_formula_sum "Be2 P2 H3 O8"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_grou... |
DeleteAroundAtomAction | 59d5641f-00dc-4347-b790-93f8abe03d28 | mp-1213937 | Delete all atoms within 1.94 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge3O23
_chemical_formula_sum "Cr10 Cu2 Ge3 O23"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... |
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