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 | 9dd370b0-2c19-4de0-93c6-639a089b975c | mp-11609 | Delete all atoms within 3.657 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural SbMoS2
_chemical_formula_sum "Sb1 Mo1 S2"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 9fc2a636-46fb-4a06-9028-a3e26180a138 | mp-861612 | Delete all atoms within 3.315 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2FeP2O7
_chemical_formula_sum "Cr2 Fe1 P2 O7"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | e2dd0a3e-1c52-4b92-8efd-139c12cea911 | mp-661715 | Delete all atoms within 2.935 angstrom around the atom at index 10 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 TiS2Cl9O2
_chemical_formula_sum "Ti1 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_nam... |
DeleteAroundAtomAction | e2560f73-7556-4a61-98bf-6dfba27574e1 | mp-28730 | Delete all atoms within 2.997 angstrom around the atom at index 60 in the cif file. | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_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 In25Cl35
_chemical_formula_sum "In25 Cl35"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_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 | e6bb88be-5c0e-4949-ad34-79d32429df9a | mp-1245687 | Delete all atoms within 3.658 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta12Te9N8
_chemical_formula_sum "Ta12 Te9 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 | 99ae2ab2-9cac-46d8-a6c7-84fafdc9aaea | mp-1033461 | Delete all atoms within 3.186 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 Mg6CrO4
_chemical_formula_sum "Mg6 Cr1 O4"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 | c5ef6dd1-69c4-4897-aebc-892fc33a9aa4 | mp-1223543 | Delete all atoms within 2.105 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_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 K4H11Se7O23
_chemical_formula_sum "K4 H11 Se7 O23"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_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 | 30fb80b7-24ab-419a-85b0-c9fc6216e534 | mp-1176381 | Delete all atoms within 3.422 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... | data_image0
_chemical_formula_structural Na2LiFeCO8
_chemical_formula_sum "Na2 Li1 Fe1 C1 O8"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.86051704
_space_... |
DeleteAroundAtomAction | 866fb8cd-df87-4232-a35f-6d6f86833c36 | mp-1206399 | Delete all atoms within 3.043 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2
_chemical_formula_sum "Rb2"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 7742c7e4-25a4-4059-a76c-58551015e155 | mp-1219666 | Delete all atoms within 2.616 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... | data_image0
_chemical_formula_structural Rb3SeO7
_chemical_formula_sum "Rb3 Se1 O7"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_gr... |
DeleteAroundAtomAction | 969c441f-779f-45a6-a85f-455f08d31b08 | mp-1190028 | Delete all atoms within 3.579 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural TmAl6Ni2
_chemical_formula_sum "Tm1 Al6 Ni2"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | bf29cd2a-d889-4d2b-b297-527e74d2c2a5 | mp-1042880 | Delete all atoms within 2.129 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn3Ni4O15
_chemical_formula_sum "Zn3 Ni4 O15"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 3692ca6b-bcda-40a9-952a-eca2ee49d3db | mp-1217245 | Delete all atoms within 3.354 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... | data_image0
_chemical_formula_structural Ti2Bi4O10
_chemical_formula_sum "Ti2 Bi4 O10"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_name_H... |
DeleteAroundAtomAction | 4bc622b1-d15d-4050-9d7c-7241050b7c00 | mp-755643 | Delete all atoms within 2.855 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... | data_image0
_chemical_formula_structural Rb5In2O5
_chemical_formula_sum "Rb5 In2 O5"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... |
DeleteAroundAtomAction | ac17fb16-a242-44f7-9dec-15e810fad2b7 | mp-554749 | Delete all atoms within 2.051 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P17Ir5O53
_chemical_formula_sum "P17 Ir5 O53"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
DeleteAroundAtomAction | 3082f760-689c-4f0a-ba4b-84ec39454658 | mp-1110571 | Delete all atoms within 3.787 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | ae00aee4-faaa-41eb-860b-c0195354caa7 | mp-1190284 | Delete all atoms within 3.459 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi6Se9
_chemical_formula_sum "Bi6 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... |
DeleteAroundAtomAction | 2e6d175c-bc7d-4f0e-b981-72e03443e11b | mp-1028272 | Delete all atoms within 3.203 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg8
_chemical_formula_sum "Mg8"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 67b73ba0-fe18-4148-bfbe-5ea5152b1610 | mp-705004 | Delete all atoms within 3.695 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2NiP6O20
_chemical_formula_sum "Li2 Ni1 P6 O20"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 87814e27-314b-4588-a4fe-a9b03a056cc9 | mp-1112589 | Delete all atoms within 3.54 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
_... |
DeleteAroundAtomAction | 812b5eb3-6af6-4957-9771-aee54f28022d | mp-1402005 | Delete all atoms within 3.483 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural CaCo4O4
_chemical_formula_sum "Ca1 Co4 O4"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
DeleteAroundAtomAction | 4f205098-8351-4181-bb77-3f64bd0e9387 | mp-18612 | Delete all atoms within 2.58 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo3S15
_chemical_formula_sum "Rb8 Mo3 S15"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 | f8e0731a-a94e-4879-9310-837e3a71309e | mp-706446 | Delete all atoms within 1.806 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2TiH20C8O25
_chemical_formula_sum "Cs2 Ti1 H20 C8 O25"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 1b81d184-2fb9-43fa-8474-8d97c94527e3 | mp-755976 | Delete all atoms within 3.659 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... | data_image0
_chemical_formula_structural LiMnVO2
_chemical_formula_sum "Li1 Mn1 V1 O2"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_group_name_... |
DeleteAroundAtomAction | eda649b5-c7df-4e4e-93dd-7dd5e0393259 | mp-1522056 | Delete all atoms within 2.268 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuO5
_chemical_formula_sum "Ca1 Eu1 O5"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001
_space_gro... |
DeleteAroundAtomAction | 8fd21dd6-23fc-4540-b56d-af6fb050571a | mp-1100614 | Delete all atoms within 2.398 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... | data_image0
_chemical_formula_structural Li7Mn2Co3O15
_chemical_formula_sum "Li7 Mn2 Co3 O15"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... |
DeleteAroundAtomAction | 466e91e5-edb3-43d9-b093-c43b86684ba6 | mp-1110828 | Delete all atoms within 3.426 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural KNaTa
_chemical_formula_sum "K1 Na1 Ta1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999986
_... |
DeleteAroundAtomAction | 881dca15-4716-4437-9e6c-46d938695cdb | mp-2224725 | Delete all atoms within 2.319 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... | data_image0
_chemical_formula_structural MgV3O4F3
_chemical_formula_sum "Mg1 V3 O4 F3"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... |
DeleteAroundAtomAction | b35aed43-d067-4b01-9523-3e06c1f36440 | mp-1193573 | Delete all atoms within 3.74 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Ni10Ge4
_chemical_formula_sum "Ni10 Ge4"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.12144573999998
_sp... |
DeleteAroundAtomAction | 3f54b852-fae0-4eff-961d-97a7a812ebe6 | mp-1520146 | Delete all atoms within 2.36 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Ba2O5
_chemical_formula_sum "Ba2 O5"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
DeleteAroundAtomAction | 8f44fd7b-3fd7-45d3-b063-34df735d7aee | mp-8762 | Delete all atoms within 3.654 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er6S2O3
_chemical_formula_sum "Er6 S2 O3"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 957115bb-7e22-44d9-909d-fe2db3487182 | mp-1044413 | Delete all atoms within 2.192 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zn3Fe4Bi4O16
_chemical_formula_sum "Zn3 Fe4 Bi4 O16"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 9615acf7-b855-40e5-b478-8cce6d360b0c | mp-568693 | Delete all atoms within 3.058 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Al11Ni4
_chemical_formula_sum "Al11 Ni4"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_group_n... |
DeleteAroundAtomAction | ead3e078-5286-4e14-a894-e48c0a47e3ec | mp-557871 | Delete all atoms within 2.689 angstrom around the atom at index 10 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 Cu2AsO7
_chemical_formula_sum "Cu2 As1 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_group_name... |
DeleteAroundAtomAction | 82fa955f-a072-460e-969b-32df48e43006 | mp-1247260 | Delete all atoms within 2.919 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga14Te10N6
_chemical_formula_sum "Ga14 Te10 N6"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 80ca29f6-ffd4-47f4-8f80-63b7e752e953 | mp-17446 | Delete all atoms within 3.752 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr3Pt3F19
_chemical_formula_sum "Pr3 Pt3 F19"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 791b86cc-6b2a-4765-8cb7-458a3fb37ced | mp-1179123 | Delete all atoms within 3.578 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U9O28
_chemical_formula_sum "U9 O28"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | b540af17-9a79-4509-a21c-ea12048271e7 | mp-1246639 | Delete all atoms within 2.549 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... | data_image0
_chemical_formula_structural Nb6Pb5N9
_chemical_formula_sum "Nb6 Pb5 N9"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_space... |
DeleteAroundAtomAction | c430760e-6835-4f44-b4f1-aa371094bccd | mp-697774 | Delete all atoms within 2.312 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Cr3P8O26
_chemical_formula_sum "Li8 Cr3 P8 O26"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 4de9af83-fd87-4315-84fd-7abe9ff476cb | mp-28457 | Delete all atoms within 3.091 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta14O26
_chemical_formula_sum "Ba2 Ta14 O26"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
DeleteAroundAtomAction | 3a4a6c57-7e60-446f-9ac3-182712100b1c | mp-754121 | Delete all atoms within 3.315 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 Li2AlCoO
_chemical_formula_sum "Li2 Al1 Co1 O1"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 | 865e707a-4780-4449-8a4a-e85afee52ffb | mp-1227224 | Delete all atoms within 3.734 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca2La3Nb3Co3O14
_chemical_formula_sum "Ca2 La3 Nb3 Co3 O14"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... |
DeleteAroundAtomAction | f712772e-3115-4442-b630-436593d13da2 | mp-1102706 | Delete all atoms within 3.503 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... | data_image0
_chemical_formula_structural Eu2Ga4
_chemical_formula_sum "Eu2 Ga4"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... |
DeleteAroundAtomAction | 6f467a28-680d-4a4e-8783-d7284208051a | mp-1192578 | Delete all atoms within 2.748 angstrom around the atom at index 5 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 K2Ca3USi4O10
_chemical_formula_sum "K2 Ca3 U1 Si4 O10"
_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 | 5a8ce1cf-01a8-455d-863d-14d3cf7551cf | mp-756031 | Delete all atoms within 3.956 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li2CoOF2
_chemical_formula_sum "Li2 Co1 O1 F2"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_space_... |
DeleteAroundAtomAction | 841f403b-53c7-447f-b673-cee536694ae9 | mp-30667 | Delete all atoms within 3.25 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 Sr31Ga25
_chemical_formula_sum "Sr31 Ga25"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 | c9d1bda7-6449-4964-b1ae-a59878b9ae79 | mp-661715 | Delete all atoms within 3.368 angstrom around the atom at index 9 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 TiS2Cl9O2
_chemical_formula_sum "Ti1 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_nam... |
DeleteAroundAtomAction | efb2c49f-6035-4552-9f1d-b44bd5095d2c | mp-573073 | Delete all atoms within 3.141 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs12Cu10F33
_chemical_formula_sum "Cs12 Cu10 F33"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
DeleteAroundAtomAction | dc12c2ef-1c79-4e87-ada7-d210050c4ae6 | mp-1226157 | Delete all atoms within 3.682 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2O2
_chemical_formula_sum "Cs2 O2"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.403795750000015
_... |
DeleteAroundAtomAction | e547cc7c-f5bb-492f-b9e6-4a4ed7da7dbc | mp-1188640 | Delete all atoms within 3.676 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr5Sn2
_chemical_formula_sum "Zr5 Sn2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | e8ddbf89-4ea0-412d-8428-2855fc9ea12d | mp-1175936 | Delete all atoms within 2.345 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li5MnCo4O15
_chemical_formula_sum "Li5 Mn1 Co4 O15"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.4119588700... |
DeleteAroundAtomAction | afb91477-07d3-4142-9e7d-636b5c05bf06 | mp-1041494 | Delete all atoms within 2.552 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... | data_image0
_chemical_formula_structural MgCu4O2
_chemical_formula_sum "Mg1 Cu4 O2"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037
... |
DeleteAroundAtomAction | 77101da7-02fe-4310-b059-8943e1f0a3b6 | mp-1041677 | Delete all atoms within 2.866 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2SnP4O9
_chemical_formula_sum "Mg2 Sn1 P4 O9"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_space... |
DeleteAroundAtomAction | 5943cf83-a350-4a97-80db-461f3ef9dcda | mp-561179 | Delete all atoms within 2.581 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu3I4O7
_chemical_formula_sum "Ba8 Cu3 I4 O7"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
DeleteAroundAtomAction | 72b98180-731d-48b0-9331-fa1f602babc5 | mp-755245 | Delete all atoms within 2.442 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2CuP2O2
_chemical_formula_sum "Li2 Cu1 P2 O2"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 313bffff-34e2-48de-978e-ecdede6d0bb1 | mp-1042982 | Delete all atoms within 2.473 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca3Ti4Ge8O20
_chemical_formula_sum "Ca3 Ti4 Ge8 O20"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d01dd53f-8eb0-4401-9662-09c0086b5021 | mp-557730 | Delete all atoms within 3.264 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural DyP5O10
_chemical_formula_sum "Dy1 P5 O10"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_g... |
DeleteAroundAtomAction | d8e648fc-237b-4aec-b913-4fe6ae7c8349 | mp-1225213 | Delete all atoms within 3.746 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... | data_image0
_chemical_formula_structural Gd5MgAlNi2
_chemical_formula_sum "Gd5 Mg1 Al1 Ni2"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_group... |
DeleteAroundAtomAction | 54c95ecc-ac0c-4f8f-a1c4-b74940d53efa | mp-1195660 | Delete all atoms within 3.092 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba7Ga2B20H14O39
_chemical_formula_sum "Ba7 Ga2 B20 H14 O39"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... |
DeleteAroundAtomAction | 8445dd09-e6ae-41b9-912c-cc77f156c653 | mp-1220398 | Delete all atoms within 3.174 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural MoS4
_chemical_formula_sum "Mo1 S4"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | 34b378d0-d8c8-45c4-bda2-a44f7201166c | mp-1358572 | Delete all atoms within 2.976 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr10O18
_chemical_formula_sum "Cr10 O18"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... |
DeleteAroundAtomAction | ca8816df-a260-45fd-85bd-f6df99ece339 | mp-1219272 | Delete all atoms within 3.674 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm2CrFe23C2
_chemical_formula_sum "Sm2 Cr1 Fe23 C2"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
DeleteAroundAtomAction | 821065e9-0669-43e6-bdcf-cc089f548a11 | mp-1041677 | Delete all atoms within 2.346 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P2O13
_chemical_formula_sum "Mg2 Sn2 P2 O13"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... |
DeleteAroundAtomAction | ae80bc8a-6fd5-45b6-964e-5041e8b582de | mp-765137 | Delete all atoms within 2.733 angstrom around the atom at index 84 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... | data_image0
_chemical_formula_structural Li9V5P15O53
_chemical_formula_sum "Li9 V5 P15 O53"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.39273519999... |
DeleteAroundAtomAction | e5a67447-0d48-47c5-9c27-42f664fc510b | mp-14215 | Delete all atoms within 3.577 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 Ba31Ge7P26
_chemical_formula_sum "Ba31 Ge7 P26"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 | 3844763d-018d-45d5-a13d-d678d08cbea7 | mp-1225501 | Delete all atoms within 3.175 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy5Fe11
_chemical_formula_sum "Dy5 Fe11"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_group_name... |
DeleteAroundAtomAction | e3de0ff9-1dac-47b6-8644-d80c3a06bc17 | mp-1040411 | Delete all atoms within 2.243 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg29O25
_chemical_formula_sum "Cs1 Hf1 Mg29 O25"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... |
DeleteAroundAtomAction | 22133757-1a22-4883-b52a-6e9bbce5acb3 | mp-2231482 | Delete all atoms within 2.358 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... | data_image0
_chemical_formula_structural Co3O7F4
_chemical_formula_sum "Co3 O7 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_group_nam... |
DeleteAroundAtomAction | 1b1d2c10-3958-452f-853a-e5be71bc5790 | mp-1222538 | Delete all atoms within 2.224 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... | data_image0
_chemical_formula_structural Li2V5O3
_chemical_formula_sum "Li2 V5 O3"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... |
DeleteAroundAtomAction | 18620e86-0c51-4d91-85e6-78258034b08f | mp-1223827 | Delete all atoms within 2.065 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaOF4
_chemical_formula_sum "K2 Na1 O1 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_group_name... |
DeleteAroundAtomAction | c61dfd00-5fec-49b4-aa62-fb6dd61c4847 | mp-28988 | Delete all atoms within 3.003 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 In27Br35
_chemical_formula_sum "In27 Br35"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 | 2d8ef4e5-d53f-4c3d-8952-42898f026639 | mp-755971 | Delete all atoms within 3.868 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 116ca89c-d370-45ac-be37-dfc022db8672 | mp-1331701 | Delete all atoms within 3.218 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTaSnO3
_chemical_formula_sum "Mg1 Ta1 Sn1 O3"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 7b1e7537-962c-40a0-bd22-48552394edf0 | mp-775212 | Delete all atoms within 2.582 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural MnV3P5O20
_chemical_formula_sum "Mn1 V3 P5 O20"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_s... |
DeleteAroundAtomAction | 833364a4-57b0-4290-a79b-a31df463d4be | mp-726132 | Delete all atoms within 2.628 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural N3Cl10
_chemical_formula_sum "N3 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.80818553
_... |
DeleteAroundAtomAction | aa96f674-2160-4172-9a51-5b4d641f21b1 | mp-1194895 | Delete all atoms within 3.769 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th6Te10Mo4O43
_chemical_formula_sum "Th6 Te10 Mo4 O43"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
DeleteAroundAtomAction | aed4a28e-e6b2-42da-a16f-e052eabd5942 | mp-726132 | Delete all atoms within 3.523 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N3Cl2
_chemical_formula_sum "Ta2 N3 Cl2"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.808185... |
DeleteAroundAtomAction | 1a95eb96-2321-4fef-ac84-2621face367b | mp-1111080 | Delete all atoms within 2.889 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K2F
_chemical_formula_sum "K2 F1"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_grou... |
DeleteAroundAtomAction | d81b1c18-f2e1-4943-8d3c-131d34f97485 | mp-1182503 | Delete all atoms within 2.547 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe13O32
_chemical_formula_sum "Fe13 O32"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... |
DeleteAroundAtomAction | f4de2d8c-4e08-4d9d-8575-cce31ba3a0e0 | mp-767632 | Delete all atoms within 1.752 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P3O15
_chemical_formula_sum "V4 P3 O15"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
DeleteAroundAtomAction | cb8e8373-befd-498b-9925-75e979c0b5c3 | mp-1191979 | Delete all atoms within 3.276 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 Rb3Tl4F7
_chemical_formula_sum "Rb3 Tl4 F7"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 | d610ee01-33c1-4f7d-8f24-a4349f7e775c | mp-1095658 | Delete all atoms within 3.235 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 Tb7Au
_chemical_formula_sum "Tb7 Au1"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 | aa94e0d0-9d05-417c-887c-6bafdcbef490 | mp-831055 | Delete all atoms within 1.723 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cr4P7O27
_chemical_formula_sum "Li4 Cr4 P7 O27"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 06613c2d-0834-4cf3-b092-b69a8e823906 | mp-774237 | Delete all atoms within 3.713 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural LiCrNiO4
_chemical_formula_sum "Li1 Cr1 Ni1 O4"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.2904402000000... |
DeleteAroundAtomAction | 42df36bf-de63-47e2-9685-159694bd6b2e | mp-1226157 | Delete all atoms within 3.793 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural O3
_chemical_formula_sum "O3"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.403795750000015
_space_g... |
DeleteAroundAtomAction | ac19dbbd-7547-493f-8132-482f9a527ece | mp-1189135 | Delete all atoms within 3.331 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Dy5Cu2Sb4
_chemical_formula_sum "Dy5 Cu2 Sb4"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
DeleteAroundAtomAction | 471235ed-96a3-48b7-9602-926c913c27da | mp-1211273 | Delete all atoms within 3.614 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La2Cr3Se5O2
_chemical_formula_sum "La2 Cr3 Se5 O2"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... |
DeleteAroundAtomAction | 5bc12628-3d6f-49ea-9d0b-110f21f9f628 | mp-849289 | Delete all atoms within 3.76 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na28Co10O32
_chemical_formula_sum "Na28 Co10 O32"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 1cd96f23-af39-41df-949e-94893586fd44 | mp-1006616 | Delete all atoms within 2.067 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... | data_image0
_chemical_formula_structural Pr2N6O28
_chemical_formula_sum "Pr2 N6 O28"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... |
DeleteAroundAtomAction | 70c9e18d-8aa0-4e97-b4af-032f5e17f7e0 | mp-505098 | Delete all atoms within 3.65 angstrom around the atom at index 49 in the cif file. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe7Se10O37
_chemical_formula_sum "Fe7 Se10 O37"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 15e0684b-d481-4101-8db8-681febb75a56 | mp-1222777 | Delete all atoms within 3.973 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_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 LiCeMo2O8
_chemical_formula_sum "Li1 Ce1 Mo2 O8"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_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 | 36d82d62-3ab0-4183-bb54-31a818808ba9 | mp-1080201 | Delete all atoms within 3.597 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re4N7
_chemical_formula_sum "Re4 N7"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 | dae4b53b-5190-4547-bcaf-32e9706d6af4 | mp-15888 | Delete all atoms within 3.216 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_name... |
DeleteAroundAtomAction | 18ccfb71-ed59-4292-b1a5-21f8c464aa5f | mp-1219950 | Delete all atoms within 3.152 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_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 Pr6Ni3Sn12
_chemical_formula_sum "Pr6 Ni3 Sn12"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 4357fa02-fcc8-4052-bf0c-bd5055f30867 | mp-770748 | Delete all atoms within 2.661 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Gd11Ta4O22
_chemical_formula_sum "Gd11 Ta4 O22"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | d208986a-cb89-4e15-8139-e3d1995ae1c8 | mp-30385 | Delete all atoms within 3.663 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho4Au
_chemical_formula_sum "Ho4 Au1"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | b3674148-0829-40ef-8e1b-551c0ff6b728 | mp-1214717 | Delete all atoms within 2.937 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba4Sr3Re5Cl2O25
_chemical_formula_sum "Ba4 Sr3 Re5 Cl2 O25"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... |
DeleteAroundAtomAction | 063b1e40-d9d0-4234-9339-f5d16caf90bf | mp-8829 | Delete all atoms within 3.154 angstrom around the atom at index 13 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 Cr3Ga3Se11
_chemical_formula_sum "Cr3 Ga3 Se11"
_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"
... |
DeleteAroundAtomAction | d01a5375-4d5d-4fa8-92d0-6d47a203f3f5 | mp-1174216 | Delete all atoms within 3.566 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_space_group_name_H-M_al... |
DeleteAroundAtomAction | e014d1a9-525f-4ce3-a7a9-2455f026716f | mp-558938 | Delete all atoms within 2.283 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_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 Zn15Si4Te4Pb4O36
_chemical_formula_sum "Zn15 Si4 Te4 Pb4 O36"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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