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 | 7739a1c9-faa2-4ffa-8d4c-2c106fe5f22d | mp-559041 | Delete all atoms within 2.137 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo3Cl14O3
_chemical_formula_sum "Tl2 Mo3 Cl14 O3"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... |
DeleteAroundAtomAction | 7bbed721-f678-4576-af1c-af109477f906 | mp-11677 | Delete all atoms within 2.534 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... | data_image0
_chemical_formula_structural Sr6Si2As5
_chemical_formula_sum "Sr6 Si2 As5"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... |
DeleteAroundAtomAction | 465d26df-fae2-4ea3-9137-cd3dfe113ba4 | mp-11609 | Delete all atoms within 3.788 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 SbMoS
_chemical_formula_sum "Sb1 Mo1 S1"
_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 | 094abd29-a2be-4e54-93f1-45bd0dc105ba | mp-1245768 | Delete all atoms within 3.189 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 Mg3CdN3
_chemical_formula_sum "Mg3 Cd1 N3"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 | b0082aa1-7b98-45d2-9bd1-c77d97dbbb8f | mp-1212370 | Delete all atoms within 3.644 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 Ho9Ge4Rh4
_chemical_formula_sum "Ho9 Ge4 Rh4"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 | ea8d3dba-4007-498b-a7ac-2453bc08d311 | mp-1213000 | Delete all atoms within 3.983 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2O4
_chemical_formula_sum "Eu2 O4"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_group_name_H-M... |
DeleteAroundAtomAction | 1eaea8ca-c589-4732-8ae5-e76afcf1c1cc | mp-1195825 | Delete all atoms within 3.677 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si9Br22
_chemical_formula_sum "Si9 Br22"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_space... |
DeleteAroundAtomAction | 5fe47944-226c-4e63-9018-6d3de0c6ffa6 | mp-4647 | Delete all atoms within 2.727 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu5Se4
_chemical_formula_sum "K3 Cu5 Se4"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... |
DeleteAroundAtomAction | ec6b7bc8-2ace-4e57-890d-5aa72794e5c3 | mp-26100 | Delete all atoms within 3.299 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Bi7P11O41
_chemical_formula_sum "Bi7 P11 O41"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | e61fd5cb-36b2-4a54-a225-3b3454c2bcf4 | mp-752777 | Delete all atoms within 3.227 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... | data_image0
_chemical_formula_structural O2
_chemical_formula_sum "O2"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
_space_group_name_H-... |
DeleteAroundAtomAction | 92452366-e030-4847-82e5-e6aaf80ac0e0 | mp-1177332 | Delete all atoms within 2.976 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... | data_image0
_chemical_formula_structural Li3Fe3B3O8
_chemical_formula_sum "Li3 Fe3 B3 O8"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_space_gr... |
DeleteAroundAtomAction | 2af1e87f-6ebb-4584-b1be-4f47838023d5 | mp-1516486 | Delete all atoms within 3.277 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... | data_image0
_chemical_formula_structural SrNdNi
_chemical_formula_sum "Sr1 Nd1 Ni1"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000000000... |
DeleteAroundAtomAction | f2f6f550-bdf9-428b-b94b-20817e88ea3d | mp-9481 | Delete all atoms within 3.256 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... | data_image0
_chemical_formula_structural TcS2
_chemical_formula_sum "Tc1 S2"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-M... |
DeleteAroundAtomAction | 4756c44f-c8a1-4178-a5d2-d55c2c9b2cc1 | mp-1346690 | Delete all atoms within 3.13 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2SnP2O7
_chemical_formula_sum "Mg2 Sn1 P2 O7"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_name_H... |
DeleteAroundAtomAction | 3d631112-ffc9-4c82-82b2-15b105a6dfd7 | mp-1191000 | Delete all atoms within 3.217 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu2Si2Ni5
_chemical_formula_sum "Eu2 Si2 Ni5"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
DeleteAroundAtomAction | 73a4f916-a61e-4186-a808-dc3e73030942 | mp-1102507 | Delete all atoms within 3.236 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Nd2Mn2
_chemical_formula_sum "Nd2 Mn2"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 57cad0e1-094d-4eb6-9d67-412e9f03ca57 | mp-28408 | Delete all atoms within 3.781 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4TcCl4
_chemical_formula_sum "K4 Tc1 Cl4"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
_s... |
DeleteAroundAtomAction | efcc5de8-7514-475c-83d1-fa641d4ca8ea | mp-1106104 | Delete all atoms within 2.755 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural AlI4N6
_chemical_formula_sum "Al1 I4 N6"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | ce8f84f2-e627-4c42-ab27-3bac6cdd0fbe | mp-1203797 | Delete all atoms within 1.442 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd26B7O49
_chemical_formula_sum "Nd26 B7 O49"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f0174d14-c9cf-483f-b4b0-c1c063d1993d | mp-759828 | Delete all atoms within 2.701 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural LiMnVP4H3O18
_chemical_formula_sum "Li1 Mn1 V1 P4 H3 O18"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782744... |
DeleteAroundAtomAction | 8255bfa0-1694-4ba7-ae26-366bb8fbfef7 | mp-580525 | Delete all atoms within 3.249 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy9Ni10Sn22
_chemical_formula_sum "Dy9 Ni10 Sn22"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 | 412d72e1-a568-459e-b8d2-678fb3f175ae | mp-1175149 | Delete all atoms within 3.443 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... | data_image0
_chemical_formula_structural Li4MnCoO
_chemical_formula_sum "Li4 Mn1 Co1 O1"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_space_gr... |
DeleteAroundAtomAction | 79b6f044-71df-4c45-beb4-caa8c60ff966 | mp-1033833 | Delete all atoms within 2.478 angstrom around the atom at index 14 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 CsRbMg4O6
_chemical_formula_sum "Cs1 Rb1 Mg4 O6"
_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 | 8c3ee0bc-7f40-44fc-9400-7fc01358da54 | mp-768385 | Delete all atoms within 3.053 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8Y3Br27
_chemical_formula_sum "Ba8 Y3 Br27"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 8c3c4ed2-21ac-4587-8a3d-9c9f48468726 | mp-1022085 | Delete all atoms within 2.796 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg11Cu2B
_chemical_formula_sum "Mg11 Cu2 B1"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 | fca2aa00-f59f-41f9-8302-b58779dd75a8 | mp-1272815 | Delete all atoms within 3.033 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... | data_image0
_chemical_formula_structural Sr3Co4O
_chemical_formula_sum "Sr3 Co4 O1"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H-M_... |
DeleteAroundAtomAction | 26f524e3-9eac-4e0f-bab0-c698e8e8e4d9 | mp-722245 | Delete all atoms within 2.104 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_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 K8H8C7S7N8O4
_chemical_formula_sum "K8 H8 C7 S7 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 07b75daa-fbcf-4f76-ac3f-11ab5c123857 | mp-1046251 | Delete all atoms within 3.349 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta3Zn4O7
_chemical_formula_sum "Ta3 Zn4 O7"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_group_na... |
DeleteAroundAtomAction | 823c40c1-1d72-4b82-be78-11eb2994a8ef | mp-849612 | Delete all atoms within 2.801 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe7B8O19
_chemical_formula_sum "Li2 Fe7 B8 O19"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... |
DeleteAroundAtomAction | 4a021556-7f3b-4357-9cba-9404d25a64a4 | mp-768242 | Delete all atoms within 3.672 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural O2
_chemical_formula_sum "O2"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_number ... |
DeleteAroundAtomAction | e8736b77-d3c9-4385-ab1c-e3dcfdf80f6b | mp-1216937 | Delete all atoms within 3.854 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 Ti3Nb2H3O13
_chemical_formula_sum "Ti3 Nb2 H3 O13"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 | 0d9e3827-d871-4b34-b975-b7d8d83f95ea | mp-1552 | Delete all atoms within 3.717 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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 C2
_chemical_formula_sum "C2"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_numbe... |
DeleteAroundAtomAction | fed43252-d33a-4614-93da-80dddf90eb6c | mp-1223619 | Delete all atoms within 2.714 angstrom around the atom at index 67 in the cif file. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 Mg3Al3Si15O54
_chemical_formula_sum "Mg3 Al3 Si15 O54"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 88948a7a-9ad4-4ff3-9a41-c62bf967e7c0 | mp-2217073 | Delete all atoms within 2.344 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... | data_image0
_chemical_formula_structural MgTi2O2
_chemical_formula_sum "Mg1 Ti2 O2"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... |
DeleteAroundAtomAction | e9bca485-db4d-44b8-b132-04ce51d6e265 | mp-757162 | Delete all atoms within 3.022 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi3O4F2
_chemical_formula_sum "Bi3 O4 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 8fd179d4-5372-47aa-b41c-2e9c378e0ab9 | mp-1104064 | Delete all atoms within 2.959 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural HIO7
_chemical_formula_sum "H1 I1 O7"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_name_H-M_... |
DeleteAroundAtomAction | c0d12c64-dd40-44a7-a90d-87314c0d571d | mp-549058 | Delete all atoms within 3.85 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba3Fe4Se3OF2
_chemical_formula_sum "Ba3 Fe4 Se3 O1 F2"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.000676... |
DeleteAroundAtomAction | f9d7db0e-7b57-4897-9323-af8e34637498 | mp-1519666 | Delete all atoms within 3.412 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural SrCeZr
_chemical_formula_sum "Sr1 Ce1 Zr1"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000000000... |
DeleteAroundAtomAction | 9b5bd85e-0f0e-4f78-bce3-eb025f7e40b3 | mp-1246950 | Delete all atoms within 1.609 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC4N6
_chemical_formula_sum "Mn1 C4 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... |
DeleteAroundAtomAction | e5be5d22-d855-4f57-8f13-9c090c2819f5 | mp-18133 | Delete all atoms within 3.703 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zr5Co12P6
_chemical_formula_sum "Zr5 Co12 P6"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 42a7b7ae-b434-46dd-ac22-29add2db3820 | mp-569862 | Delete all atoms within 3.622 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P3Se16
_chemical_formula_sum "Rb8 P3 Se16"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... |
DeleteAroundAtomAction | 1e34d2d4-5155-4f83-959a-a2857e3f8b32 | mp-868007 | Delete all atoms within 3.538 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.329331169999996
_space_group_name... |
DeleteAroundAtomAction | 6a7cf15f-c0ab-4de6-990d-1999ddc8070c | mp-1190284 | Delete all atoms within 3.624 angstrom around the atom at index 1 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 | 51f834c6-0c9c-4020-b387-51c8e02294ae | mp-505098 | Delete all atoms within 2.437 angstrom around the atom at index 63 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 Fe7Se11O47
_chemical_formula_sum "Fe7 Se11 O47"
_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 | ebe90811-076c-47c5-a278-5c144a9fb071 | mp-768070 | Delete all atoms within 1.845 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... | data_image0
_chemical_formula_structural Na8Ni4P3C4O27
_chemical_formula_sum "Na8 Ni4 P3 C4 O27"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... |
DeleteAroundAtomAction | e1ae6c66-bd6f-4a3c-acb3-fc9f35f5d51c | mp-570258 | Delete all atoms within 3.612 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... | data_image0
_chemical_formula_structural CaAl2N
_chemical_formula_sum "Ca1 Al2 N1"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_gro... |
DeleteAroundAtomAction | ab9a9e3f-f066-4e26-8a29-0963c628ae3e | mp-20083 | Delete all atoms within 3.425 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Cu2Si
_chemical_formula_sum "Cu2 Si1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 | 4ea64be7-a75c-4acd-909a-fa2696cb4524 | mp-1196873 | Delete all atoms within 3.555 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er3Co6Ge16
_chemical_formula_sum "Er3 Co6 Ge16"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 | 4afdbe55-50fb-4152-b8b3-088b114df163 | mp-26941 | Delete all atoms within 2.516 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li3Mn2P3O14
_chemical_formula_sum "Li3 Mn2 P3 O14"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... |
DeleteAroundAtomAction | 5d89d782-3570-4700-b701-cb9b019e7381 | mp-2231123 | Delete all atoms within 1.931 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_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 Na4MgTi2GeO9
_chemical_formula_sum "Na4 Mg1 Ti2 Ge1 O9"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 5bf7e29b-d01a-4211-83ca-e7bd9ca1b052 | mp-1225622 | Delete all atoms within 3.918 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... | data_image0
_chemical_formula_structural ErFe
_chemical_formula_sum "Er1 Fe1"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | c12f5a7a-7866-4567-bd9c-fa9ce3486e3e | mp-1220943 | Delete all atoms within 2.624 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... | data_image0
_chemical_formula_structural Na7Al7Si7O31
_chemical_formula_sum "Na7 Al7 Si7 O31"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... |
DeleteAroundAtomAction | 18ebef55-ea0a-4513-baa9-68999a203abd | mp-696656 | Delete all atoms within 3.525 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B2H7O3F5
_chemical_formula_sum "B2 H7 O3 F5"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 63d0766c-765a-40e1-8cf6-0a2759d69ee0 | mp-1212741 | Delete all atoms within 3.079 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al4B7O13
_chemical_formula_sum "Eu2 Al4 B7 O13"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... |
DeleteAroundAtomAction | 1894e7f3-d6da-4220-b478-afc560a20e6b | mp-1111891 | Delete all atoms within 2.887 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na2Cl5
_chemical_formula_sum "Na2 Cl5"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
DeleteAroundAtomAction | d95c3d0d-dfe1-4e2e-bfb0-6c4b82f52224 | mp-1147529 | Delete all atoms within 2.237 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ba4Cu2BrO2
_chemical_formula_sum "Ba4 Cu2 Br1 O2"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
DeleteAroundAtomAction | 35cf3ed6-29ff-48f0-897e-fa9ba16da215 | mp-761916 | Delete all atoms within 3.152 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_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 Na4H16Au3Br15O8
_chemical_formula_sum "Na4 H16 Au3 Br15 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | edab004f-0c57-4fd5-872c-9b68a35cc705 | mp-15203 | Delete all atoms within 2.269 angstrom around the atom at index 80 in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li10Ca24W8N32O5
_chemical_formula_sum "Li10 Ca24 W8 N32 O5"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
DeleteAroundAtomAction | f390b1b2-b856-4ab8-ace3-0e2bd9fa70ae | mp-30215 | Delete all atoms within 3.062 angstrom around the atom at index 39 in the cif file. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr10Mo3O22
_chemical_formula_sum "Pr10 Mo3 O22"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 147f7ea1-33c8-4ac9-9fcc-85ff471d0cfc | mp-1043069 | Delete all atoms within 2.685 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr3Cu3O6
_chemical_formula_sum "Zn1 Cr3 Cu3 O6"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417
... |
DeleteAroundAtomAction | 54d7c29c-3c68-4311-bff9-61384ec3f2bc | mp-1173960 | Delete all atoms within 3.078 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... | data_image0
_chemical_formula_structural CoO4
_chemical_formula_sum "Co1 O4"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_name_H-M_al... |
DeleteAroundAtomAction | c0d95e9e-e95e-4d28-af41-39924e6bf0f8 | mp-1212178 | Delete all atoms within 3.001 angstrom around the atom at index 57 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 In3H35S7O42
_chemical_formula_sum "In3 H35 S7 O42"
_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 | 8294aa97-b135-4990-a5eb-2c2333c476b4 | mp-1246265 | Delete all atoms within 3.215 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 CoNi7N4
_chemical_formula_sum "Co1 Ni7 N4"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 | 5899e123-ad36-4906-9e1d-e344aff00bdc | mp-628951 | Delete all atoms within 2.58 angstrom around the atom at index 42 in the cif file. | data_image0
_chemical_formula_structural V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural V7P7O32
_chemical_formula_sum "V7 P7 O32"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 | bdd46396-e905-46b5-84f2-d8c1f45cc91b | mp-1235624 | Delete all atoms within 3.377 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al2CuO4
_chemical_formula_sum "Al2 Cu1 O4"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 99a25839-8a21-465e-beed-21100b5bfda2 | mp-27013 | Delete all atoms within 3.026 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li17V6P15O53
_chemical_formula_sum "Li17 V6 P15 O53"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
DeleteAroundAtomAction | 460b3cac-035a-4081-95ed-115a48f6f8ac | mp-540818 | Delete all atoms within 2.912 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... | data_image0
_chemical_formula_structural Tl8Ge7Se16
_chemical_formula_sum "Tl8 Ge7 Se16"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... |
DeleteAroundAtomAction | 9c28866d-f503-436f-b9b0-ffe8ace8d3d8 | mp-570466 | Delete all atoms within 3.322 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li3Ca4
_chemical_formula_sum "Li3 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 96ee0723-bde8-48b3-9b4a-946533797f64 | mp-27353 | Delete all atoms within 3.143 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb11Cl23F36
_chemical_formula_sum "Sb11 Cl23 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | d2351680-fbdb-4f96-acf6-15dcc5fd64a8 | mp-1200885 | Delete all atoms within 3.069 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y15C22
_chemical_formula_sum "Y15 C22"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 8b9ab30f-70c1-492e-aa57-34bce4a7edb2 | mp-1201604 | Delete all atoms within 2.057 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cd16B7O31
_chemical_formula_sum "Cd16 B7 O31"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
DeleteAroundAtomAction | f3088128-5bea-448a-b865-8bbbeecb5fb2 | mp-764512 | Delete all atoms within 3.77 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li2Fe5B5O13
_chemical_formula_sum "Li2 Fe5 B5 O13"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
DeleteAroundAtomAction | 70a0eb1f-68de-454b-8127-c961d38c6486 | mp-29057 | Delete all atoms within 3.13 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Br7
_chemical_formula_sum "Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 95310f54-076b-4ae5-a501-6f79dfc93546 | mp-1228133 | Delete all atoms within 3.527 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba2Lu2Mo
_chemical_formula_sum "Ba2 Lu2 Mo1"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 58e39db5-fa70-46a9-988a-cf1880f993f2 | mp-754693 | Delete all atoms within 3.74 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... | data_image0
_chemical_formula_structural LuBi3O2
_chemical_formula_sum "Lu1 Bi3 O2"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001
_... |
DeleteAroundAtomAction | 3ce98dc7-065e-4294-abea-3f0ea059fcee | mp-1192677 | Delete all atoms within 3.908 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr3OsI12
_chemical_formula_sum "Cs4 Pr3 Os1 I12"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... |
DeleteAroundAtomAction | ac0a492c-01df-4415-9326-4d5a639fb3be | mp-2216729 | Delete all atoms within 3.068 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... | data_image0
_chemical_formula_structural Ti3H4O7
_chemical_formula_sum "Ti3 H4 O7"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group_n... |
DeleteAroundAtomAction | d0ebcc31-9143-4417-b50a-c566dd28255c | mp-1195074 | Delete all atoms within 3.484 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural U5Pb2S16
_chemical_formula_sum "U5 Pb2 S16"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 2e1c46b1-407e-4746-9d64-10ac94bf5b99 | mp-1192677 | Delete all atoms within 3.44 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr4OsI12
_chemical_formula_sum "Cs4 Pr4 Os1 I12"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... |
DeleteAroundAtomAction | d7775b43-2ee2-45f3-8675-726a437cdc8b | mp-735521 | Delete all atoms within 3.566 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn2H13O7F6
_chemical_formula_sum "Mn2 H13 O7 F6"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 3587f3ab-e999-4aae-a729-d93edd6fb09b | mp-774513 | Delete all atoms within 2.522 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_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 Li7Ti8Co10O33
_chemical_formula_sum "Li7 Ti8 Co10 O33"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 399cc805-39af-44e9-891d-2d5693612956 | mp-29717 | Delete all atoms within 3.959 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W21Br47
_chemical_formula_sum "Ag4 W21 Br47"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 | fb48056e-b296-4e83-9d10-252edac177ed | mp-557500 | Delete all atoms within 2.131 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiPS3
_chemical_formula_sum "Li1 Ni1 P1 S3"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_grou... |
DeleteAroundAtomAction | 42a7ab68-4141-46b8-9c08-aef81325cdb0 | mp-1217947 | Delete all atoms within 3.391 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag7O14
_chemical_formula_sum "Ta4 Nb4 Ag7 O14"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | 75669a99-0b1e-4f3b-9dc5-ac4ccee72ae0 | mp-1223746 | Delete all atoms within 2.989 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb3O6
_chemical_formula_sum "In1 Sb3 Pb3 O6"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.338... |
DeleteAroundAtomAction | de764323-1d08-42e7-bc8f-9b741272601b | mp-568053 | Delete all atoms within 3.466 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga6
_chemical_formula_sum "Tb4 Ga6"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_space_gr... |
DeleteAroundAtomAction | 3588d2b9-ef6e-484d-aa9b-ac789c04adca | mp-18973 | Delete all atoms within 2.424 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se7O17
_chemical_formula_sum "Co4 Se7 O17"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
DeleteAroundAtomAction | 15116b75-36b7-42c0-87e1-2b7e43bc414f | mp-1073003 | Delete all atoms within 2.51 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si9
_chemical_formula_sum "Mg8 Si9"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_group... |
DeleteAroundAtomAction | cf9b2045-2de5-4f03-a033-d420d2ebf2c8 | mp-753007 | Delete all atoms within 2.271 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn3O5F6
_chemical_formula_sum "Mn3 O5 F6"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 53483fbf-6827-4f60-b4a9-cdf90672346d | mp-1386638 | Delete all atoms within 3.496 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na3Cu2P2O8
_chemical_formula_sum "Na3 Cu2 P2 O8"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_gr... |
DeleteAroundAtomAction | 88ff844a-b108-4706-8019-338e58cf38c6 | mp-1196375 | Delete all atoms within 3.389 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd29Ni3
_chemical_formula_sum "Gd2 Cd29 Ni3"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
DeleteAroundAtomAction | f9d5bcae-ed36-4cee-9133-fa1d53baa3b6 | mp-1208324 | Delete all atoms within 3.877 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti2Al6
_chemical_formula_sum "Ti2 Al6"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 7de86a54-0e25-45ea-9e89-011ac6007f4d | mp-1210838 | Delete all atoms within 3.359 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 MgPH10N2O6
_chemical_formula_sum "Mg1 P1 H10 N2 O6"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 | 7426d141-075c-4a1d-8811-41216c7c92e0 | mp-1200095 | Delete all atoms within 2.114 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P7O31
_chemical_formula_sum "Sr4 Np4 P7 O31"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 26f3b800-ffcc-4712-8aa4-f32f6926c7ba | mp-1201951 | Delete all atoms within 3.559 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ce2As3O13F2
_chemical_formula_sum "Ce2 As3 O13 F2"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 9bbdc245-8ede-4a43-8a17-da829716d49b | mp-1104551 | Delete all atoms within 2.634 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn10
_chemical_formula_sum "Dy1 Zn10"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... |
DeleteAroundAtomAction | b3f93f62-5e16-4312-8c8e-8833cbca04e5 | mp-29185 | Delete all atoms within 2.417 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te2O5F4
_chemical_formula_sum "Te2 O5 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... |
DeleteAroundAtomAction | 13792441-fb75-4787-a25f-19102d296171 | mp-768657 | Delete all atoms within 2.718 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... | data_image0
_chemical_formula_structural Li3CrFe3O2
_chemical_formula_sum "Li3 Cr1 Fe3 O2"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... |
DeleteAroundAtomAction | 4764d578-77ca-4446-ab0d-48413a6cd81e | mp-780652 | Delete all atoms within 3.432 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li6V5P10O52
_chemical_formula_sum "Li6 V5 P10 O52"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
DeleteAroundAtomAction | 819c726f-ebf9-4a6e-9f26-470709851f97 | mp-1199497 | Delete all atoms within 3.338 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Mo7I23
_chemical_formula_sum "Cs4 Mo7 I23"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt "... |
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