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 | 40a1c7b4-417e-4434-9bdd-febe5775930a | mp-1195405 | Delete all atoms within 2.614 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu12P11
_chemical_formula_sum "Ho4 Mn4 Cu12 P11"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 21d489b7-4f5e-4679-8c60-ea87c5a4b97c | mp-767412 | Delete all atoms within 3.297 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural LiCoS4
_chemical_formula_sum "Li1 Co1 S4"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_na... |
DeleteAroundAtomAction | 7a6b3b1b-0cb4-47b0-9024-33660d275068 | mp-1208738 | Delete all atoms within 3.946 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb4Pb
_chemical_formula_sum "Tb4 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 143ddccb-aa5d-4fee-8f70-a8110538e518 | mp-1080201 | Delete all atoms within 3.468 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Re6N10
_chemical_formula_sum "Re6 N10"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... |
DeleteAroundAtomAction | 8cf2337a-33a2-4a61-865d-b785c7503c0d | mp-1228475 | Delete all atoms within 2.236 angstrom around the atom at index 44 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co6O27
_chemical_formula_sum "Ba10 Mn2 Co6 O27"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | dd07acea-d25d-4d1a-8ccf-d9fbce143cc1 | mp-25284 | Delete all atoms within 3.253 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_group_... |
DeleteAroundAtomAction | 7d241cda-1597-4af8-b4af-020a422b1411 | mp-2233356 | Delete all atoms within 3.79 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2O
_chemical_formula_sum "Mg1 Cu2 O1"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
_space_group_n... |
DeleteAroundAtomAction | 4cd81778-16c9-4041-8082-6f21729cc172 | mp-1204342 | Delete all atoms within 3.699 angstrom around the atom at index 63 in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca6B8H12Cl3O21
_chemical_formula_sum "Ca6 B8 H12 Cl3 O21"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
DeleteAroundAtomAction | 5b1dd6eb-d3d5-4e34-8962-4bffd4feb256 | mp-1178408 | Delete all atoms within 2.134 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf3O11
_chemical_formula_sum "Cs8 Hf3 O11"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | ae57643f-1ed3-42f4-9f8b-9225abfcba0a | mp-732227 | Delete all atoms within 2.752 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As3N4O12F8
_chemical_formula_sum "Sb4 As3 N4 O12 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2b40a701-9bf6-45d9-9ad1-db563694656a | mp-1204213 | Delete all atoms within 1.711 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S13O56
_chemical_formula_sum "Tb4 Nb4 S13 O56"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | e1f4d3cb-3cc8-4a37-9d5c-71f433552136 | mp-1047596 | Delete all atoms within 2.773 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi6O15
_chemical_formula_sum "Zn4 Bi6 O15"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | a9f2257a-1b99-418b-8c2e-f75ad887c89c | mp-850196 | Delete all atoms within 2.62 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V3O5F
_chemical_formula_sum "Li3 V3 O5 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name_H... |
DeleteAroundAtomAction | d08d80aa-61de-49ca-aa6f-4390e1e0f9ec | mp-2217302 | Delete all atoms within 3.576 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
DeleteAroundAtomAction | 7d5e7eeb-1740-4778-925a-7a0dd4f52fae | mp-1111109 | Delete all atoms within 3.253 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural KLiNb
_chemical_formula_sum "K1 Li1 Nb1"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | ad0b5430-ff25-42ab-9a09-24dfde0f207a | mp-1019897 | Delete all atoms within 2.811 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 La2N4O15
_chemical_formula_sum "La2 N4 O15"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 | ee2b5d9e-3e61-4248-b804-39ff4ac1c7cf | mp-1209658 | Delete all atoms within 2.98 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr9C9Br6
_chemical_formula_sum "Pr9 C9 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_group... |
DeleteAroundAtomAction | b65a2e5b-afb7-4647-af73-f57cbc3de094 | mp-1179989 | Delete all atoms within 3.664 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C7S7I2N14
_chemical_formula_sum "Pd2 C7 S7 I2 N14"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... |
DeleteAroundAtomAction | 5e2e0f6b-e3bd-4611-ba73-599815c4b6dc | mp-1043265 | Delete all atoms within 3.196 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn2Fe2O6
_chemical_formula_sum "Zn2 Fe2 O6"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 112a923e-47ba-4cb3-922e-34b576ff2666 | mp-1047241 | Delete all atoms within 3.652 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Mo
_chemical_formula_sum "Mo1"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_space_group_name... |
DeleteAroundAtomAction | 5fdd1d98-1632-42fb-aaa6-f712dc6f83d9 | mp-1517569 | Delete all atoms within 3.573 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_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 K4Eu4Sb4W3O18
_chemical_formula_sum "K4 Eu4 Sb4 W3 O18"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 5c8f595f-bbfc-45df-8cd8-6d43a1f3e5c6 | mp-1237057 | Delete all atoms within 2.647 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 Ti2PbO4
_chemical_formula_sum "Ti2 Pb1 O4"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 | af0d835e-bb10-43ff-8e9a-2c2535084ad1 | mp-29621 | Delete all atoms within 3.978 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba9Bi3
_chemical_formula_sum "Ba9 Bi3"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 0351d8a4-ead6-42f8-914e-450dfe8468e6 | mp-753628 | Delete all atoms within 3.017 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural LiV2F7
_chemical_formula_sum "Li1 V2 F7"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 9843ba1c-260e-45fc-9ced-95f5888fb64b | mp-1021415 | Delete all atoms within 3.536 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 LaMg5Sn
_chemical_formula_sum "La1 Mg5 Sn1"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_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 | 9d07fcec-9ce2-4cf7-8f9a-1e1c7096a7bd | mp-26995 | Delete all atoms within 2.967 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LiCoP3O8
_chemical_formula_sum "Li1 Co1 P3 O8"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | e137413b-72fb-4c69-aebf-32b85c226bf2 | mp-756816 | Delete all atoms within 2.406 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li2Fe3O4
_chemical_formula_sum "Li2 Fe3 O4"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... |
DeleteAroundAtomAction | ac8e5e36-2b8c-465c-a370-826cb48fab31 | mp-661715 | Delete all atoms within 3.921 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2SCl7
_chemical_formula_sum "Ti2 S1 Cl7"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_name_H-M... |
DeleteAroundAtomAction | e787578b-5507-4b5a-9779-577fd7eb743a | mp-510581 | Delete all atoms within 3.462 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural PrH2
_chemical_formula_sum "Pr1 H2"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | f3d69356-e067-46ca-b042-624cec1c4489 | mp-1227512 | Delete all atoms within 3.051 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi7Se5S6
_chemical_formula_sum "Bi7 Se5 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 | 385a8b0c-6a28-40d9-8a9c-77bd5f98864d | mp-1201549 | Delete all atoms within 3.025 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural FeSb11Pb8Se27
_chemical_formula_sum "Fe1 Sb11 Pb8 Se27"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 6dc7519f-b9de-40a9-ba08-e84c093febdb | mp-1021280 | Delete all atoms within 3.892 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg4Bi
_chemical_formula_sum "Li2 Mg4 Bi1"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | cfcbde7c-d959-4dcb-9cd9-56422ee80b40 | mp-1217800 | Delete all atoms within 3.532 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta11MoO28
_chemical_formula_sum "Ta11 Mo1 O28"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... |
DeleteAroundAtomAction | a8049013-ab2f-4e60-b777-11afaced7202 | mp-773076 | Delete all atoms within 2.258 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li7Co13O31
_chemical_formula_sum "Li7 Co13 O31"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 | a2f3feef-d1ea-4a31-bc42-5085cc67354a | mp-1188770 | Delete all atoms within 3.762 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Er4Co3
_chemical_formula_sum "Er4 Co3"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
DeleteAroundAtomAction | 5dc57135-e649-4891-979f-19dd21054971 | mp-1037998 | Delete all atoms within 3.294 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg18CdO26
_chemical_formula_sum "Mg18 Cd1 O26"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 | 9bccc900-8589-4d69-80cf-06e1f916654e | mp-2227915 | Delete all atoms within 3.441 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Te4Mo3WS2
_chemical_formula_sum "Te4 Mo3 W1 S2"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 119.9957... |
DeleteAroundAtomAction | e51b2c67-54d2-4c0d-bda2-7402066145f3 | mp-1228475 | Delete all atoms within 3.879 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5MnCo5O22
_chemical_formula_sum "Ba5 Mn1 Co5 O22"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 6d632d6e-7453-42db-a600-6ae84c3d676c | mp-17620 | Delete all atoms within 2.674 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm5B6O12
_chemical_formula_sum "Tm5 B6 O12"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 1fd5ae3f-ed3e-40bd-8064-dbe01980f505 | mp-777800 | Delete all atoms within 2.352 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe3F2
_chemical_formula_sum "Fe3 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 59c54a10-46e5-407c-a0ca-812b8d9ae1bb | mp-697170 | Delete all atoms within 1.337 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H21Br8N7
_chemical_formula_sum "Mg4 H21 Br8 N7"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 | fd797599-618d-4afc-8ba1-a0ea9f924e40 | mp-757411 | Delete all atoms within 2.45 angstrom around the atom at index 32 in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li7Co3P7O27
_chemical_formula_sum "Li7 Co3 P7 O27"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... |
DeleteAroundAtomAction | 15101a48-52f5-4378-9abb-78d8c45a9fe8 | mp-1036398 | Delete all atoms within 3.536 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg6AlO11
_chemical_formula_sum "Mg6 Al1 O11"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 6ef09ad6-1563-4209-ae85-170ef1e301b5 | mp-1046855 | Delete all atoms within 2.38 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CaSbO7
_chemical_formula_sum "Ca1 Sb1 O7"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
DeleteAroundAtomAction | b3a5f3d6-3a70-43ca-ab91-31d43be59199 | mp-570610 | Delete all atoms within 3.82 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd12I25
_chemical_formula_sum "Cd12 I25"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | a48b2f44-1eb9-45cd-855d-dce5be357e33 | mp-1175691 | Delete all atoms within 2.993 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li6Mn2Co2O8
_chemical_formula_sum "Li6 Mn2 Co2 O8"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
_s... |
DeleteAroundAtomAction | f275f36b-04c9-471b-8d65-2f37f6276dac | mp-1218051 | Delete all atoms within 3.231 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta3MoS6
_chemical_formula_sum "Ta3 Mo1 S6"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | d0ddf380-b5a9-4e74-9f2d-bfa685bc8bef | mp-782632 | Delete all atoms within 2.761 angstrom around the atom at index 74 in the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li7Ni7S15O59
_chemical_formula_sum "Li7 Ni7 S15 O59"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 9756f683-c677-4f93-877c-7a56efc056a3 | mp-1074751 | Delete all atoms within 2.863 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_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 Mg7
_chemical_formula_sum "Mg7"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_... |
DeleteAroundAtomAction | 81f1dc7b-86a6-4a6e-a213-ccdf4c9676e0 | mp-1207428 | Delete all atoms within 2.559 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4NiAs3
_chemical_formula_sum "Zr4 Ni1 As3"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 | a8c08811-8a02-4738-98b1-06d321ad75ff | mp-567381 | Delete all atoms within 1.869 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4C5
_chemical_formula_sum "K4 Hg4 C5"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... |
DeleteAroundAtomAction | 32aa6c07-e105-4b9d-945c-2ad7a875f296 | mp-1508 | Delete all atoms within 2.408 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S14
_chemical_formula_sum "La8 S14"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | 357b00ca-952d-45cf-94be-16845c442092 | mp-781738 | Delete all atoms within 3.741 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na9V2B4S2O23
_chemical_formula_sum "Na9 V2 B4 S2 O23"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
DeleteAroundAtomAction | 83ed8d2c-9f11-4385-9ce8-c190a2c388a7 | mp-766361 | Delete all atoms within 2.369 angstrom around the atom at index 32 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 Nb17O49
_chemical_formula_sum "Nb17 O49"
_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 | dfafaecd-7641-482b-83e5-1ae31920daae | mp-1173920 | Delete all atoms within 3.032 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural CoO2
_chemical_formula_sum "Co1 O2"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 95d6bacd-1fe9-41cc-8d72-6fb538da5e62 | mp-1193845 | Delete all atoms within 3.167 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho5Al3Cu8
_chemical_formula_sum "Ho5 Al3 Cu8"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | 5ec68264-951d-46c8-be92-0d7fc487b80c | mp-1207428 | Delete all atoms within 3.83 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Ni2As
_chemical_formula_sum "Ni2 As1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 | 35fb0365-fed0-4fd2-b6a4-a185a58cc7e0 | mp-756426 | Delete all atoms within 2.446 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural NbO7
_chemical_formula_sum "Nb1 O7"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 9599c7d0-8500-4e31-a5b3-7b9c8376132c | mp-2223616 | Delete all atoms within 2.291 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuHOF
_chemical_formula_sum "Mg1 Cu1 H1 O1 F1"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.42929792
... |
DeleteAroundAtomAction | 8958ce46-7a68-4689-a02d-a189aca618a7 | mp-4279 | Delete all atoms within 3.349 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_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 Ca2Ge6O11
_chemical_formula_sum "Ca2 Ge6 O11"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_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 | 1f23ab65-9a75-4aad-9d2d-ea6ef1a5fc86 | mp-30012 | Delete all atoms within 2.742 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi3Kr4F27
_chemical_formula_sum "Bi3 Kr4 F27"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 1de3026f-3dc6-43bb-a420-fa0dfc8d4315 | mp-740718 | Delete all atoms within 3.094 angstrom around the atom at index 77 in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al7H41N15Cl23
_chemical_formula_sum "Al7 H41 N15 Cl23"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | b7ecf723-8e19-45a5-846e-27ad84d0a629 | mp-752785 | Delete all atoms within 3.007 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm3U4O11
_chemical_formula_sum "Sm3 U4 O11"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... |
DeleteAroundAtomAction | 1c140534-2d9f-4f56-9197-8e925ccd7ab2 | mp-721707 | Delete all atoms within 1.042 angstrom around the atom at index 51 in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H22C12N15O12
_chemical_formula_sum "H22 C12 N15 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... |
DeleteAroundAtomAction | 7a250e8d-57cb-4706-b8b0-331a768c5b7d | mp-1078280 | Delete all atoms within 3.574 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Pd2
_chemical_formula_sum "Pd2"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_space_group_name_... |
DeleteAroundAtomAction | d5d74703-1e68-4e2c-94bb-1d0b057bf74f | mp-2228948 | Delete all atoms within 2.774 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSbPHO6
_chemical_formula_sum "Mg1 Sb1 P1 H1 O6"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707888
... |
DeleteAroundAtomAction | 0aea87a9-4d05-4fc5-800f-cfb11f71fc25 | mp-1078929 | Delete all atoms within 2.97 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg3Br3N2
_chemical_formula_sum "Hg3 Br3 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... |
DeleteAroundAtomAction | 5bf569a7-553b-47f4-b2a1-155e2765cec1 | mp-1212544 | Delete all atoms within 3.571 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na2V3O3
_chemical_formula_sum "Na2 V3 O3"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_name_H-... |
DeleteAroundAtomAction | 89e951a1-c3f9-4584-92a6-c931cd5feb55 | mp-771136 | Delete all atoms within 2.691 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho3Se5O21
_chemical_formula_sum "Ho3 Se5 O21"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... |
DeleteAroundAtomAction | e8335ac4-b63b-4f5f-be66-af60a3762584 | mp-775339 | Delete all atoms within 3.824 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li3Si6O20
_chemical_formula_sum "Li3 Si6 O20"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.9405342... |
DeleteAroundAtomAction | 7d665bb2-24d2-430e-96a2-43f9d3aced58 | mp-1213259 | Delete all atoms within 2.912 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Mn27Sn15
_chemical_formula_sum "Mn27 Sn15"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
DeleteAroundAtomAction | a8f175b0-7d12-4df0-882f-1b9478379978 | mp-1226671 | Delete all atoms within 1.96 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P5H22N4O17
_chemical_formula_sum "Co4 P5 H22 N4 O17"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... |
DeleteAroundAtomAction | b826f00f-8276-43b9-ad5f-30949f6e2dfb | mp-1173581 | Delete all atoms within 2.443 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti7P7O39
_chemical_formula_sum "Na8 Ti7 P7 O39"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | ecbdaa78-31fb-4476-90bd-9bc32b669c45 | mp-1233593 | Delete all atoms within 2.879 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural HoMgAg2W3O11
_chemical_formula_sum "Ho1 Mg1 Ag2 W3 O11"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.03784533999... |
DeleteAroundAtomAction | 4449c922-94b4-449d-96ad-b7dce289a79a | mp-2226963 | Delete all atoms within 2.665 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaW2O4
_chemical_formula_sum "Rb3 Na1 W2 O4"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_group_na... |
DeleteAroundAtomAction | eae5f562-782b-4f2f-846d-8c78932666f1 | mp-1198084 | Delete all atoms within 3.187 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca4S5O20
_chemical_formula_sum "Ca4 S5 O20"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... |
DeleteAroundAtomAction | a180fd6a-87e0-4554-ab92-98a4f795153b | mp-770417 | Delete all atoms within 2.756 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li3Mn2VNi2P5O20
_chemical_formula_sum "Li3 Mn2 V1 Ni2 P5 O20"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
DeleteAroundAtomAction | 0109f340-301f-479c-9217-86b26818dd84 | mp-1245067 | Delete all atoms within 3.858 angstrom around the atom at index 66 in the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al86
_chemical_formula_sum "Al86"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H-M... |
DeleteAroundAtomAction | 3ec6dc4e-cb38-438b-8a91-a9a5db26a35e | mp-754801 | Delete all atoms within 2.151 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li2Ti6O9
_chemical_formula_sum "Li2 Ti6 O9"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_group_... |
DeleteAroundAtomAction | fa3a31c0-dd53-4fb2-ba68-c8a0f609a533 | mp-1185731 | Delete all atoms within 2.902 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg15ScAl8
_chemical_formula_sum "Mg15 Sc1 Al8"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.59220650000002... |
DeleteAroundAtomAction | e0151bc9-2887-4cf1-a5ba-8547b876d560 | mp-1111627 | Delete all atoms within 3.054 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2Na
_chemical_formula_sum "K2 Na1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
_space_... |
DeleteAroundAtomAction | 59f15d97-8682-414b-8d32-70b48dd35d2f | mp-1174239 | Delete all atoms within 2.27 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co5O8
_chemical_formula_sum "Li8 Co5 O8"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-M_... |
DeleteAroundAtomAction | b5665dc3-ca9b-4172-a02f-0300200ead14 | mp-558194 | Delete all atoms within 2.588 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2MgWO11
_chemical_formula_sum "Na2 La2 Mg1 W1 O11"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.6154... |
DeleteAroundAtomAction | 71ab7a99-3e3c-40bd-b76d-1707b75baa14 | mp-779083 | Delete all atoms within 2.76 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural VSnO6
_chemical_formula_sum "V1 Sn1 O6"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_name_H-M_al... |
DeleteAroundAtomAction | b678ed03-ed83-4dec-9d14-4dcbf5914e5f | mp-562403 | Delete all atoms within 2.084 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As3O4F15
_chemical_formula_sum "Cs4 As3 O4 F15"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2d735900-4d9e-4f9c-9702-dc4c4063d77d | mp-29185 | Delete all atoms within 3.316 angstrom around the atom at index 7 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 Te2O
_chemical_formula_sum "Te2 O1"
_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
_space_gr... |
DeleteAroundAtomAction | c03a5edc-9abe-436b-8625-96224cc5cfaa | mp-776521 | Delete all atoms within 1.71 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP5O20
_chemical_formula_sum "Ti3 V2 Sb1 P5 O20"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... |
DeleteAroundAtomAction | 45550b9c-ed57-4c11-9855-532cf56a4bcc | mp-1188903 | Delete all atoms within 2.763 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural PtCl7O10
_chemical_formula_sum "Pt1 Cl7 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_name... |
DeleteAroundAtomAction | 632378eb-20d4-4477-becf-85c02459cf91 | mp-1016677 | Delete all atoms within 3.774 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 Mg6CrC
_chemical_formula_sum "Mg6 Cr1 C1"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 | 27dd7c37-ddc8-470d-9178-56271d3aecb7 | mp-1194096 | Delete all atoms within 3.829 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr6Ni3Se9O27
_chemical_formula_sum "Sr6 Ni3 Se9 O27"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.36544... |
DeleteAroundAtomAction | d9039f7f-1666-4bb9-b24d-539815d435a6 | mp-761020 | Delete all atoms within 2.673 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co7O2F8
_chemical_formula_sum "Co7 O2 F8"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H-M... |
DeleteAroundAtomAction | 74bc58dc-79a1-4896-acf1-98c136989802 | mp-1047132 | Delete all atoms within 3.788 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural CaAgO3
_chemical_formula_sum "Ca1 Ag1 O3"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space_g... |
DeleteAroundAtomAction | c8e0e338-eafa-4dd2-a3e1-6359d8fe9593 | mp-626083 | Delete all atoms within 3.656 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si2H2O4
_chemical_formula_sum "Si2 H2 O4"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_name... |
DeleteAroundAtomAction | 5fbe6e81-60dc-4b6f-8035-8eb97bf99789 | mp-19265 | Delete all atoms within 2.348 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy3Ni4O8
_chemical_formula_sum "Dy3 Ni4 O8"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_space_... |
DeleteAroundAtomAction | 4687bf0f-e322-4a50-b9aa-db5ac25273d2 | mp-1042880 | Delete all atoms within 3.069 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni3O10
_chemical_formula_sum "Zn4 Ni3 O10"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | b20e8625-1aff-4c91-8391-140194dea5b1 | mp-753857 | Delete all atoms within 2.868 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn2F2
_chemical_formula_sum "Mn2 F2"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_name_H-M... |
DeleteAroundAtomAction | e693222a-b280-4930-99ca-c124dc8818cf | mp-759335 | Delete all atoms within 2.749 angstrom around the atom at index 63 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V5P15O50
_chemical_formula_sum "Li10 V5 P15 O50"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
DeleteAroundAtomAction | 4fd2dcc2-a416-467b-9234-36d10b624477 | mp-1212504 | Delete all atoms within 1.822 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P11H18W4O36
_chemical_formula_sum "Nd8 P11 H18 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | 96e0c973-4c4d-410b-aeca-ef47a3597c4d | mp-1028120 | Delete all atoms within 3.608 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg5C
_chemical_formula_sum "Mg5 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1"
_space... |
DeleteAroundAtomAction | bd98718a-eb97-44a8-ab09-9080c5ee45ca | mp-606121 | Delete all atoms within 3.063 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi9Rh4
_chemical_formula_sum "Ce4 Bi9 Rh4"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt "P... |
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