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 | d6d03647-2cd6-4c3e-b8c0-77a5f1c7bd88 | mp-637866 | Delete all atoms within 3.261 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... | data_image0
_chemical_formula_structural Sc7Ni4Ge5
_chemical_formula_sum "Sc7 Ni4 Ge5"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... |
DeleteAroundAtomAction | 5aa6edc6-8ab2-4a04-b8f9-14351c9afc65 | mp-30447 | Delete all atoms within 3.9 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr14Cd6Bi17
_chemical_formula_sum "Sr14 Cd6 Bi17"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
DeleteAroundAtomAction | aa0576b6-7efd-43a8-8b76-6b7d238a75e4 | mp-608595 | Delete all atoms within 3.456 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... | data_image0
_chemical_formula_structural Na3Br3O4
_chemical_formula_sum "Na3 Br3 O4"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space_g... |
DeleteAroundAtomAction | f115ccf1-6974-495b-91e8-53180513f166 | mp-27897 | Delete all atoms within 3.378 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 Ba2N5O10
_chemical_formula_sum "Ba2 N5 O10"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 | e37ad9c9-541f-47a1-9212-dc06fe0a2562 | mp-1029743 | Delete all atoms within 3.263 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba15Ge16N26
_chemical_formula_sum "Ba15 Ge16 N26"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 | e6d96a7f-5082-4f5c-b74d-cb70f3e3a4ff | mp-831268 | Delete all atoms within 3.019 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural MnH20S4N4O18
_chemical_formula_sum "Mn1 H20 S4 N4 O18"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | 574d5f37-ccc7-428e-8f26-cf477c67a185 | mp-24473 | Delete all atoms within 2.963 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4P4H12N3O14
_chemical_formula_sum "Be4 P4 H12 N3 O14"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2878b5e3-916b-42c1-bfd1-6a6e950a479e | mp-1078810 | Delete all atoms within 3.163 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 ScAu2
_chemical_formula_sum "Sc1 Au2"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | cb803e2b-7f81-4e23-abfe-0f7d9b46568b | mp-1033833 | Delete all atoms within 2.237 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg5O5
_chemical_formula_sum "Cs1 Rb1 Mg5 O5"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
DeleteAroundAtomAction | 68dde573-2839-44ac-87f4-5ff156998940 | mp-9901 | Delete all atoms within 2.529 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Sc6Co4Si6
_chemical_formula_sum "Sc6 Co4 Si6"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sc6Co2Si5
_chemical_formula_sum "Sc6 Co2 Si5"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 05c8f0ad-270a-425d-b64f-5c311746c874 | mp-630927 | Delete all atoms within 3.542 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb3SeBr2
_chemical_formula_sum "Pb3 Se1 Br2"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
DeleteAroundAtomAction | 1cc285fd-8a5e-4fae-94a7-e90edce5bed9 | mp-1213780 | Delete all atoms within 2.406 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Cr20Fe2C3
_chemical_formula_sum "Cr20 Fe2 C3"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | ca8d7a8e-cc62-42eb-a4c1-6be9306e793d | mp-2223637 | Delete all atoms within 3.08 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgO2
_chemical_formula_sum "Mg1 O2"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | bc888f04-4c13-4e3a-b2e8-5098cd6ddc1e | mp-2232781 | Delete all atoms within 1.83 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi3Pb2O8F2
_chemical_formula_sum "Mg1 Ti3 Pb2 O8 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
DeleteAroundAtomAction | cdb866f1-ba16-455b-8e20-57d102101cb1 | mp-31070 | Delete all atoms within 3.881 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural As11S12
_chemical_formula_sum "As11 S12"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | b165bd98-9adf-4858-9840-d42f1e0775ec | mp-1246779 | Delete all atoms within 2.237 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf3N11
_chemical_formula_sum "Ba10 Hf3 N11"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
DeleteAroundAtomAction | 26f91a8b-2066-4900-8e52-62b71073b463 | mp-22642 | Delete all atoms within 3.665 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 Zr19Se9
_chemical_formula_sum "Zr19 Se9"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 | d23a8862-adab-4934-b2c6-2f83d77e94e3 | mp-1211929 | Delete all atoms within 2.217 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P7O52
_chemical_formula_sum "K8 Te4 Mo8 P7 O52"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | bc2cb15a-2a04-4e7e-9a4d-ea3149ed783a | mp-1223393 | Delete all atoms within 3.813 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 0fc04012-a54e-48de-b0e7-b0974bfe6c25 | mp-1276118 | Delete all atoms within 3.411 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr2Y2Co2O7
_chemical_formula_sum "Sr2 Y2 Co2 O7"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_space... |
DeleteAroundAtomAction | 268cb6e0-e98b-4da1-906b-c1a7b9b477e0 | mp-2218909 | Delete all atoms within 2.359 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... | data_image0
_chemical_formula_structural Sr3Mn2O6
_chemical_formula_sum "Sr3 Mn2 O6"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_group_... |
DeleteAroundAtomAction | 0d4e019c-97c4-4a49-acc0-1ff8d71d7c5b | mp-1043960 | Delete all atoms within 3.808 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg2Ti2P4O13
_chemical_formula_sum "Mg2 Ti2 P4 O13"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 01736633-b461-4670-9a40-687584556f50 | mp-22781 | Delete all atoms within 2.659 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn7Ge4O10
_chemical_formula_sum "Mn7 Ge4 O10"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... |
DeleteAroundAtomAction | 3251352a-3e33-495d-ab0d-3cf6f6378bd9 | mp-608777 | Delete all atoms within 3.682 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2In2As3
_chemical_formula_sum "Eu2 In2 As3"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... |
DeleteAroundAtomAction | f03ab852-537b-456c-93f8-f8e92267857a | mp-2232162 | Delete all atoms within 3.665 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2O3
_chemical_formula_sum "Nb2 O3"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | 8a31252a-1fcc-43d3-9977-8b28a5f71cb5 | mp-760360 | Delete all atoms within 3.64 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf2N2O3
_chemical_formula_sum "Hf2 N2 O3"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | c62a73f7-0135-4498-9803-7375c5c2ad52 | mp-1211110 | Delete all atoms within 3.88 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_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 Mn6S9N5O39
_chemical_formula_sum "Mn6 S9 N5 O39"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_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 | ecb61748-2da0-41cd-aab3-da731c4f618c | mp-1653728 | Delete all atoms within 2.036 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li14Co8O23
_chemical_formula_sum "Li14 Co8 O23"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.1886632... |
DeleteAroundAtomAction | be2f56ee-3179-40d4-9f6b-6dd7fed7f589 | mp-1189578 | Delete all atoms within 2.947 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V2N4O7
_chemical_formula_sum "V2 N4 O7"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 | 088f718e-acf3-41da-a1fc-2063a25b236c | mp-30447 | Delete all atoms within 3.503 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd7Bi17
_chemical_formula_sum "Sr18 Cd7 Bi17"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
DeleteAroundAtomAction | 5e1ddaa8-9889-42de-99c9-c1ba9e8e9aa3 | mp-1027824 | Delete all atoms within 3.719 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4VCu
_chemical_formula_sum "Mg4 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | eef6de34-73d3-4d44-93a6-d1e3ac761984 | mp-1028163 | Delete all atoms within 3.651 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg4AlBi
_chemical_formula_sum "Mg4 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name_H... |
DeleteAroundAtomAction | 4d55f121-3a3b-45ed-8fb4-0c72b9c0956d | mp-1105882 | Delete all atoms within 3.351 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Sb4Rh2
_chemical_formula_sum "Sb4 Rh2"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_space_gr... |
DeleteAroundAtomAction | 61b4d026-ff4c-483d-8b37-fb8223797f67 | mp-1217155 | Delete all atoms within 2.621 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti2S7N
_chemical_formula_sum "Ti2 S7 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 0a7b954d-4383-4e06-9c76-1e406a68991c | mp-1195727 | Delete all atoms within 3.682 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K4Ca2USi7O20
_chemical_formula_sum "K4 Ca2 U1 Si7 O20"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | ece31fbd-f8d4-44e6-881a-afabd02fb91a | mp-9107 | Delete all atoms within 2.36 angstrom around the atom at index 4 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 Na2Zr2CuS3
_chemical_formula_sum "Na2 Zr2 Cu1 S3"
_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_nam... |
DeleteAroundAtomAction | 296aef5e-b049-4cba-a919-e879009092e2 | mp-1212178 | Delete all atoms within 2.144 angstrom around the atom at index 51 in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In3H36S7O47
_chemical_formula_sum "In3 H36 S7 O47"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 | 36ad1a5a-a918-4e85-83c8-2763918db675 | mp-17822 | Delete all atoms within 2.29 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo3O23
_chemical_formula_sum "Dy8 Mo3 O23"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
DeleteAroundAtomAction | 0f39e073-440d-4f0f-b959-a4ab22bda19b | mp-1181187 | Delete all atoms within 3.96 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural K6Mo2C5N5O11
_chemical_formula_sum "K6 Mo2 C5 N5 O11"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
DeleteAroundAtomAction | 15dca5c8-2f6b-44f0-94a0-7af523c2a66f | mp-17461 | Delete all atoms within 2.563 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P7O24
_chemical_formula_sum "Na4 Ti4 P7 O24"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | eaeb8213-d829-4f89-b556-438cbe2a929f | mp-1213024 | Delete all atoms within 3.259 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge5Pt10
_chemical_formula_sum "Er4 Ge5 Pt10"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... |
DeleteAroundAtomAction | 30f5d62c-7571-425e-ba01-4b0c6853ab8e | mp-1376216 | Delete all atoms within 3.251 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg2V6O12
_chemical_formula_sum "Mg2 V6 O12"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | adb08660-0fca-466e-873a-f94eed9ce4fa | mp-1239174 | Delete all atoms within 3.322 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti3Cr4Cu3S10
_chemical_formula_sum "Ti3 Cr4 Cu3 S10"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 | c0aca5e0-22e9-4a75-b76e-772bce658963 | mp-1046918 | Delete all atoms within 3.548 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca2Ti3O5
_chemical_formula_sum "Ca2 Ti3 O5"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
DeleteAroundAtomAction | 4e132091-820d-4906-9ce7-389d7212e6d8 | mp-1179245 | Delete all atoms within 3.663 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V2H9O15
_chemical_formula_sum "V2 H9 O15"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_name_... |
DeleteAroundAtomAction | 0c149d88-7558-484f-8c1a-63bb473c7787 | mp-1227202 | Delete all atoms within 3.115 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAlSi8O18
_chemical_formula_sum "Ca1 Al1 Si8 O18"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_s... |
DeleteAroundAtomAction | a5792268-0817-42a3-b068-0c428c576de0 | mp-1194797 | Delete all atoms within 2.243 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8H12Se3O21
_chemical_formula_sum "Na8 H12 Se3 O21"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... |
DeleteAroundAtomAction | 3fe79cce-b141-43a9-9d2d-84c6161e9421 | mp-755879 | Delete all atoms within 2.943 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe5O2F8
_chemical_formula_sum "Fe5 O2 F8"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_sp... |
DeleteAroundAtomAction | 672346ae-397e-466c-ab39-596ac1aee5c5 | mp-1225642 | Delete all atoms within 2.89 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al5Si2Au
_chemical_formula_sum "Eu2 Al5 Si2 Au1"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma 2... |
DeleteAroundAtomAction | fca97888-0c64-4a13-8909-981e39fdcda6 | mp-1224446 | Delete all atoms within 3.384 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Fe3
_chemical_formula_sum "Fe3"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 8e914069-bf0b-417d-ab17-5fd6814a061c | mp-1111469 | Delete all atoms within 3.77 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cl
_chemical_formula_sum "Cl1"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_na... |
DeleteAroundAtomAction | c4d47569-e8e8-4277-9e11-24c2fe46cf5d | mp-34578 | Delete all atoms within 3.261 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba6Y4F24
_chemical_formula_sum "Ba6 Y4 F24"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... |
DeleteAroundAtomAction | b6e65ff1-2a3e-4495-bb14-d0552b34a92d | mp-1224145 | Delete all atoms within 3.934 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K7Mo4P6O30
_chemical_formula_sum "K7 Mo4 P6 O30"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | e1089752-bd5d-4f47-b254-934d8eeb14a1 | mp-2715503 | Delete all atoms within 3.41 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na10Sc3Si3Ge3P6O38
_chemical_formula_sum "Na10 Sc3 Si3 Ge3 P6 O38"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
DeleteAroundAtomAction | 7a86aa14-7c32-40d3-810f-91f3e2911dbd | mp-1182686 | Delete all atoms within 2.518 angstrom around the atom at index 60 in the cif file. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe6S6O55
_chemical_formula_sum "Fe6 S6 O55"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... |
DeleteAroundAtomAction | de1767c3-6d4a-4218-a6e8-b448c76a2cb6 | mp-558595 | Delete all atoms within 2.863 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba5Ru2Cl2O9
_chemical_formula_sum "Ba5 Ru2 Cl2 O9"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 53408897-94b9-41de-8425-d62897174205 | mp-2241183 | Delete all atoms within 3.534 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNbO
_chemical_formula_sum "Mg1 Nb1 O1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002
_space_g... |
DeleteAroundAtomAction | afa4f50a-cae8-43e2-b581-ce75d61bdaf3 | mp-1193000 | Delete all atoms within 3.03 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC3S4N2O11
_chemical_formula_sum "Ni1 C3 S4 N2 O11"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... |
DeleteAroundAtomAction | 7d8755cb-94b1-4ddc-9252-e89791a5aede | mp-5626 | Delete all atoms within 3.437 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb3Te9
_chemical_formula_sum "K12 Sb3 Te9"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 0b8069ea-ae1f-4a38-8efb-aa31a8685e2d | mp-767632 | Delete all atoms within 3.219 angstrom around the atom at index 20 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 V3P2O7
_chemical_formula_sum "V3 P2 O7"
_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_name... |
DeleteAroundAtomAction | 56e8088c-ab41-4b1f-87de-2fbf408980a8 | mp-558805 | Delete all atoms within 1.908 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B7O23
_chemical_formula_sum "Na12 Nd4 B7 O23"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 878fce66-fd6b-4cca-81c1-a42ee84b2c34 | mp-1212178 | Delete all atoms within 2.348 angstrom around the atom at index 92 in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H34S7O47
_chemical_formula_sum "In4 H34 S7 O47"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 | 85ae601c-a76d-4055-824e-4de1f7e49930 | mp-1245513 | Delete all atoms within 3.346 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Fe12Te10N5
_chemical_formula_sum "Fe12 Te10 N5"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 | d8afbd72-4a7d-44ed-8954-35954cba5e90 | mp-771733 | Delete all atoms within 2.472 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV7O10
_chemical_formula_sum "Li3 Mg1 V7 O10"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... |
DeleteAroundAtomAction | b8a4a737-c2cf-4f99-bc62-cf43045a81be | mp-557497 | Delete all atoms within 3.299 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr3Nb20O50
_chemical_formula_sum "Pr3 Nb20 O50"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | e838988c-655d-4543-814e-e7933f759b3b | mp-1175308 | Delete all atoms within 3.622 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li8Mn6O11
_chemical_formula_sum "Li8 Mn6 O11"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999
_s... |
DeleteAroundAtomAction | 6182d0f6-76bd-4caa-8529-40d383df8acf | mp-29802 | Delete all atoms within 3.851 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc2Ni19Ge18
_chemical_formula_sum "Sc2 Ni19 Ge18"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... |
DeleteAroundAtomAction | e1980664-c47e-4061-83b4-bbdd4a17aff8 | mp-766361 | Delete all atoms within 3.543 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb18O37
_chemical_formula_sum "Nb18 O37"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
DeleteAroundAtomAction | 32055cec-11e7-4de5-95b1-dffcb06edd66 | mp-867658 | Delete all atoms within 2.867 angstrom around the atom at index 63 in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La11Mn12O37
_chemical_formula_sum "La11 Mn12 O37"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
DeleteAroundAtomAction | 315669d4-67c1-42e8-92c8-ea4e7f937e8e | mp-759150 | Delete all atoms within 2.568 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li3V2O4F7
_chemical_formula_sum "Li3 V2 O4 F7"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... |
DeleteAroundAtomAction | 62e33e86-0942-4fe7-b087-46c1a7c638b8 | mp-1931800 | Delete all atoms within 3.743 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn10Si2SbO17
_chemical_formula_sum "Mn10 Si2 Sb1 O17"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_sp... |
DeleteAroundAtomAction | c6ff5c16-295a-42d5-aa9e-1f87fda55978 | mp-770874 | Delete all atoms within 2.948 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na11Co4PC8O26
_chemical_formula_sum "Na11 Co4 P1 C8 O26"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
DeleteAroundAtomAction | e55e702c-c670-4714-a96d-0f1884351a78 | mp-766445 | Delete all atoms within 2.444 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural Mn8Co3O12
_chemical_formula_sum "Mn8 Co3 O12"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... |
DeleteAroundAtomAction | 0dc58c00-deef-4bf6-b3b5-4990223cd063 | mp-695305 | Delete all atoms within 2.975 angstrom around the atom at index 28 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 Na6C7S7O21F24
_chemical_formula_sum "Na6 C7 S7 O21 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... |
DeleteAroundAtomAction | 4c594439-97db-4003-a35c-6069287bc2aa | mp-989647 | Delete all atoms within 3.837 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Re3N6
_chemical_formula_sum "Re3 N6"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 | 290c5eaa-2ceb-4d93-9241-712b8be8e890 | mp-27382 | Delete all atoms within 3.224 angstrom around the atom at index 13 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 U8Tl7F32
_chemical_formula_sum "U8 Tl7 F32"
_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 | e1039046-a3a2-4893-931f-42221da97701 | mp-558603 | Delete all atoms within 3.03 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K3Si8O14
_chemical_formula_sum "K3 Si8 O14"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
DeleteAroundAtomAction | 8b10ae7a-2660-48c1-852c-e961d3eb5653 | mp-29075 | Delete all atoms within 2.917 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga5Bi10Cl23
_chemical_formula_sum "Ga5 Bi10 Cl23"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
DeleteAroundAtomAction | 5fa069ce-1979-47b9-8cfe-2564fa6e5827 | mp-2228762 | Delete all atoms within 3.083 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K2NaMgCr2O2
_chemical_formula_sum "K2 Na1 Mg1 Cr2 O2"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... |
DeleteAroundAtomAction | aad3b9e7-13f0-44ad-ad6e-b4988967b6be | mp-1207958 | Delete all atoms within 3.546 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm3Zn2Sn3
_chemical_formula_sum "Tm3 Zn2 Sn3"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 54d1abbc-3d0c-471c-9ea2-a62b8de437c4 | mp-1206107 | Delete all atoms within 3.329 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4Cd
_chemical_formula_sum "Ho4 Cd1"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 | 8259d113-2384-41c8-a156-bff29aa17caf | mp-28179 | Delete all atoms within 3.3 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Ta3Cl22
_chemical_formula_sum "Na2 Ta3 Cl22"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 15804da8-9ae0-4f44-aaa9-1190b831be67 | mp-1248873 | Delete all atoms within 2.327 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Ni4O13
_chemical_formula_sum "Ni4 O13"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | 559af53a-b6d7-4f1d-ab11-c53c995f4f18 | mp-1021689 | Delete all atoms within 3.587 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg4VW2
_chemical_formula_sum "Mg4 V1 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 | e050b884-134f-4c94-914f-ee7d9abd8539 | mp-1196042 | Delete all atoms within 3.205 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na3H28Pt2N9F9
_chemical_formula_sum "Na3 H28 Pt2 N9 F9"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_spac... |
DeleteAroundAtomAction | 3bda2706-9dc1-41a8-ad20-5aa8da4fa446 | mp-1096432 | Delete all atoms within 3.202 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce22Se47
_chemical_formula_sum "Ce22 Se47"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... |
DeleteAroundAtomAction | dabaca82-0715-4dc8-8141-6f78c5d609bc | mp-3653 | Delete all atoms within 3.63 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 MgSb2O4
_chemical_formula_sum "Mg1 Sb2 O4"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 | 74ec9179-bdf7-4c31-b741-deaf3ac900b7 | mp-1220551 | Delete all atoms within 3.056 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb2Bi5O11
_chemical_formula_sum "Nb2 Bi5 O11"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group_name_... |
DeleteAroundAtomAction | 99a3e6d1-f2fc-459a-985c-abb05ac56f9a | mp-1246932 | Delete all atoms within 3.237 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba27Hf4N20
_chemical_formula_sum "Ba27 Hf4 N20"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 | 0ad47274-f6bd-4cfd-b3b9-9c883affb731 | mp-1225659 | Delete all atoms within 3.911 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErAl
_chemical_formula_sum "Er1 Al1"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | c7cee6ef-84c0-436e-8915-8571081ae242 | mp-1227615 | Delete all atoms within 3.383 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce3Co19
_chemical_formula_sum "Ce3 Co19"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_group_nam... |
DeleteAroundAtomAction | 1e34e498-764a-409e-8c5a-1d9c11474f60 | mp-554918 | Delete all atoms within 3.063 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural BaY4Si2B6O16F
_chemical_formula_sum "Ba1 Y4 Si2 B6 O16 F1"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_group... |
DeleteAroundAtomAction | a80de3ad-44e1-455f-843e-303700e6d1aa | mp-17691 | Delete all atoms within 3.965 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu7SbS5
_chemical_formula_sum "Cu7 Sb1 S5"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 | 9a3be155-604d-4c5b-8abc-30fb69eb5ae3 | mp-621667 | Delete all atoms within 3.658 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu5
_chemical_formula_sum "Eu5"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | 31a08607-a160-40be-8c72-caf9433d63ad | mp-1019788 | Delete all atoms within 3.132 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K6Al5Si5O17
_chemical_formula_sum "K6 Al5 Si5 O17"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 | 925f288c-2065-439f-82bb-9746cd5366d2 | mp-767632 | Delete all atoms within 2.75 angstrom around the atom at index 2 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 V3P4O10
_chemical_formula_sum "V3 P4 O10"
_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 | 162d0695-3585-49a8-961d-8c84039b5210 | mp-757805 | Delete all atoms within 2.379 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2VP7O23
_chemical_formula_sum "Li2 V1 P7 O23"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | b1cf3f34-ed67-402e-bdd3-4e195a19a27f | mp-765591 | Delete all atoms within 2.403 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li3Fe3P3O15
_chemical_formula_sum "Li3 Fe3 P3 O15"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... |
DeleteAroundAtomAction | 37b26a8b-6bd3-4f6a-8cc8-50b97f8a9bec | mp-571242 | Delete all atoms within 3.721 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb4Co3Cl13
_chemical_formula_sum "Rb4 Co3 Cl13"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 | 69c62acc-6b91-418e-b92c-b9d66502509b | mp-1202898 | Delete all atoms within 3.121 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural In4As6N4O21
_chemical_formula_sum "In4 As6 N4 O21"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... |
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