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 | 0f4d44bf-02ee-4013-947f-9095ebbd9354 | mp-781014 | Delete all atoms within 2.838 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li4V4P8H4O32
_chemical_formula_sum "Li4 V4 P8 H4 O32"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... | data_image0
_chemical_formula_structural Li4V3P7H4O25
_chemical_formula_sum "Li4 V3 P7 H4 O25"
_cell_length_a 7.480707
_cell_length_b 9.34636263
_cell_length_c 9.362421390000002
_cell_angle_alpha 117.49468419999998
_cell_angle_beta 97.92932522
_cell_angle_gamma 97.96877453... |
DeleteAroundAtomAction | 6ebed158-4fab-409d-b700-37978d8e6fc3 | mp-1199930 | Delete all atoms within 3.781 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Y4Co28Cu6
_chemical_formula_sum "Y4 Co28 Cu6"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y2Co18Cu4
_chemical_formula_sum "Y2 Co18 Cu4"
_cell_length_a 8.31822461
_cell_length_b 8.31822461
_cell_length_c 8.147198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000483
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 4bae12ab-8fb1-4cd9-828d-1b5c2a8e65aa | mp-1999 | Delete all atoms within 2.776 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sb8O12
_chemical_formula_sum "Sb8 O12"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... | data_image0
_chemical_formula_structural Sb6O11
_chemical_formula_sum "Sb6 O11"
_cell_length_a 7.93430228
_cell_length_b 7.93430258
_cell_length_c 7.93430209
_cell_angle_alpha 59.99999757999999
_cell_angle_beta 59.999996349999996
_cell_angle_gamma 60.00000136
_space_group... |
DeleteAroundAtomAction | d4cff807-c8c0-4d2a-a087-465158a8b462 | mp-753290 | Delete all atoms within 3.446 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe3F3
_chemical_formula_sum "Fe3 F3"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
DeleteAroundAtomAction | eed0e786-f2f6-400b-ad65-b7dd2f454203 | mp-1201334 | Delete all atoms within 1.221 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH17PdC4N3O12
_chemical_formula_sum "Ni1 H17 Pd1 C4 N3 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... |
DeleteAroundAtomAction | b4999e07-6723-403f-b239-59163316d7cf | mp-753829 | Delete all atoms within 2.632 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural O5
_chemical_formula_sum "O5"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space_group_... |
DeleteAroundAtomAction | d82b0862-4b93-4708-ab56-921a6d4d7eea | mp-1182237 | Delete all atoms within 3.524 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba2ClO5
_chemical_formula_sum "Ba2 Cl1 O5"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 42c6162d-cb08-45f8-ab18-6129c318afe8 | mp-1178874 | Delete all atoms within 3.086 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V5H3O12
_chemical_formula_sum "V5 H3 O12"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 821eb7c5-f5fe-4850-a45a-704dbd658513 | mp-1191760 | Delete all atoms within 3.745 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na2VPO6
_chemical_formula_sum "Na2 V1 P1 O6"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_group_n... |
DeleteAroundAtomAction | c9e991fe-2df5-426c-bf9d-494727247f98 | mp-771159 | Delete all atoms within 2.26 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V5W2O10
_chemical_formula_sum "Li4 V5 W2 O10"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
DeleteAroundAtomAction | c9e3ef96-e740-40a6-a345-02dadf309442 | mp-531238 | Delete all atoms within 3.787 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cd10Ga17O40
_chemical_formula_sum "Cd10 Ga17 O40"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | c517214d-f48b-442c-82bb-3ea2d00f2bfa | mp-6215 | Delete all atoms within 2.369 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2AsS5
_chemical_formula_sum "Ag2 Hg2 As1 S5"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group_... |
DeleteAroundAtomAction | 180dfe81-7f4b-48c8-831b-5e6649a99351 | mp-676077 | Delete all atoms within 3.07 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... | data_image0
_chemical_formula_structural Ce2NdO5
_chemical_formula_sum "Ce2 Nd1 O5"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.37345519000002... |
DeleteAroundAtomAction | 8ecfcb82-565e-48dd-8587-e2c32076f4de | mp-1026730 | Delete all atoms within 3.274 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg8Bi
_chemical_formula_sum "La1 Mg8 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | d7c6e7dd-b1fc-4d60-9096-a810fbd7fabf | mp-1192912 | Delete all atoms within 3.296 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural La11Ru2Br8
_chemical_formula_sum "La11 Ru2 Br8"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_sp... |
DeleteAroundAtomAction | cd457ca4-26c6-442d-8fd4-e63052c2aaa0 | mp-774335 | Delete all atoms within 2.671 angstrom around the atom at index 72 in the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn15P15O52
_chemical_formula_sum "Sn15 P15 O52"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | 65c91af9-3681-4ec0-9cee-98d88687cbe6 | mp-1026412 | Delete all atoms within 3.786 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg5
_chemical_formula_sum "Ba1 Mg5"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 8408ddf6-263e-4a5d-a186-e07f063dedfd | mp-637030 | Delete all atoms within 3.101 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural GdAl4Si3Pt
_chemical_formula_sum "Gd1 Al4 Si3 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.912586... |
DeleteAroundAtomAction | b1311b8a-63e5-45c4-be2a-59144f78e487 | mp-699405 | Delete all atoms within 2.532 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca5Mg5Al2Si11O31
_chemical_formula_sum "Ca5 Mg5 Al2 Si11 O31"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... |
DeleteAroundAtomAction | df489056-a818-4f09-a166-1663fd54f1cd | mp-25954 | Delete all atoms within 3.007 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co5P5O16
_chemical_formula_sum "Co5 P5 O16"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 514a9d75-684e-41e2-827f-8bd7d754abb2 | mp-772524 | Delete all atoms within 3.303 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural LiTi3P5O19
_chemical_formula_sum "Li1 Ti3 P5 O19"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.47897137000... |
DeleteAroundAtomAction | 9cc361d0-5376-4099-a6fe-d0332b8361b8 | mp-2218579 | Delete all atoms within 3.412 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaMgO3
_chemical_formula_sum "Na1 Mg1 O3"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 8c8a9247-99a8-47b4-bcd5-5f8ad990cec5 | mp-1218673 | Delete all atoms within 3.624 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr2Zn40
_chemical_formula_sum "Sr2 Zn40"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... |
DeleteAroundAtomAction | 2cefe748-fbf4-4ce5-af00-fca67869b926 | mp-557900 | Delete all atoms within 3.859 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb3C4S3Cl5F28
_chemical_formula_sum "Sb3 C4 S3 Cl5 F28"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
DeleteAroundAtomAction | f4d7a952-2d62-4449-8b2c-15041f575887 | mp-510041 | Delete all atoms within 3.078 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf2Ni5Sn2
_chemical_formula_sum "Hf2 Ni5 Sn2"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | d7f03c2f-8176-4f8b-a763-6c9a9ab98ea0 | mp-1043418 | Delete all atoms within 3.942 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co4O6
_chemical_formula_sum "Co4 O6"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | f5bbe177-8c46-4c91-8163-e219cfdbcc9e | mp-2217675 | Delete all atoms within 2.716 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural AlO5
_chemical_formula_sum "Al1 O5"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space_group_name_H-... |
DeleteAroundAtomAction | 006fe3fe-f4c6-4752-b723-b1335b499abb | mp-1190964 | Delete all atoms within 3.107 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te5Pd13
_chemical_formula_sum "Te5 Pd13"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
DeleteAroundAtomAction | f068f217-f60d-4388-a298-182419a71d43 | mp-754936 | Delete all atoms within 2.264 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural DyO5
_chemical_formula_sum "Dy1 O5"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 211924bc-0a56-49b7-8f96-3602631b25d0 | mp-531064 | Delete all atoms within 3.55 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K6Mo23Br55
_chemical_formula_sum "K6 Mo23 Br55"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 | 6875a226-05d3-4a93-b2b2-2c0f9cb72bf8 | mp-542012 | Delete all atoms within 3.873 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb7Hf6S19
_chemical_formula_sum "Rb7 Hf6 S19"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... |
DeleteAroundAtomAction | 3f895edd-9d61-400a-88b2-64364f5034ff | mp-1224058 | Delete all atoms within 2.664 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho5S2OF6
_chemical_formula_sum "Ho5 S2 O1 F6"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | eb39468e-2bdf-4f6f-82c9-dc964c144755 | mp-686618 | Delete all atoms within 1.839 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si29N41O3
_chemical_formula_sum "Y1 Al6 Si29 N41 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... |
DeleteAroundAtomAction | e119ec17-5ff6-4f03-9277-0fecf51ba6d1 | mp-1347506 | Delete all atoms within 2.503 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg3Cu2Ir2O6
_chemical_formula_sum "Mg3 Cu2 Ir2 O6"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 2baef017-e06e-459d-8b76-683908738fe1 | mp-1523289 | Delete all atoms within 3.677 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural Sn3O6
_chemical_formula_sum "Sn3 O6"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 5c633daa-62e5-4eb8-a6a1-0bbd5cfeb2e9 | mp-2647063 | Delete all atoms within 2.567 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru2Cl11
_chemical_formula_sum "Ru2 Cl11"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 7f319d93-77e0-4e9d-a8ee-89632f6f53da | mp-1207461 | Delete all atoms within 3.356 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr11PI23
_chemical_formula_sum "Zr11 P1 I23"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 3ffed4d7-9a1a-44a4-ad8e-24f0c40ca40f | mp-1210254 | Delete all atoms within 2.385 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni3O16F7
_chemical_formula_sum "Ni3 O16 F7"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | 12bcf927-0b02-46ca-9eaf-f4b519bd9969 | mp-30464 | Delete all atoms within 3.312 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural Pd2
_chemical_formula_sum "Pd2"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_name_H-M_al... |
DeleteAroundAtomAction | afb3a138-bb53-4f1b-a354-4cceb17be659 | mp-1205615 | Delete all atoms within 3.087 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La3Co2I2
_chemical_formula_sum "La3 Co2 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 355e34dd-d0b3-4e85-8ddb-17257ba416de | mp-1048316 | Delete all atoms within 3.107 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 Ba2Co3O3
_chemical_formula_sum "Ba2 Co3 O3"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 | b024bdc0-26c0-44f7-a840-8121dd8c92c5 | mp-1247511 | Delete all atoms within 2.465 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na11W4N6
_chemical_formula_sum "Na11 W4 N6"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... |
DeleteAroundAtomAction | cdf430b9-92c2-42fe-90a8-0987771fa7a5 | mp-1235910 | Delete all atoms within 3.395 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural Mn3OF3
_chemical_formula_sum "Mn3 O1 F3"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001
_spac... |
DeleteAroundAtomAction | c538e44e-449b-4134-b7f4-30d30f80c2eb | mp-532413 | Delete all atoms within 3.907 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li18B19S42
_chemical_formula_sum "Li18 B19 S42"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... |
DeleteAroundAtomAction | a1de40da-ed9a-46a1-b15e-471f7054079d | mp-769628 | Delete all atoms within 3.434 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li4V2O10
_chemical_formula_sum "Li4 V2 O10"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14908961
... |
DeleteAroundAtomAction | 15c8bbff-55af-4e9c-ad1d-9ecbd131c011 | mp-1041645 | Delete all atoms within 3.359 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural AlSbW2O6
_chemical_formula_sum "Al1 Sb1 W2 O6"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | b3b3ccf5-f803-4311-83a8-7421ad8e9365 | mp-1032153 | Delete all atoms within 2.41 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg2CoCuO7
_chemical_formula_sum "Mg2 Co1 Cu1 O7"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 471ddf8e-1377-4ac3-bae1-a0b905d8e1b4 | mp-1235662 | Delete all atoms within 3.047 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiYFeO4
_chemical_formula_sum "Li1 Y1 Fe1 O4"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_name_... |
DeleteAroundAtomAction | 9812b224-0f8b-43e7-9561-8ef21860270d | mp-1215797 | Delete all atoms within 3.527 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural ZnCu8Sb3S11
_chemical_formula_sum "Zn1 Cu8 Sb3 S11"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899999... |
DeleteAroundAtomAction | 578367ff-9d1c-47cc-9f15-544463e25960 | mp-1193732 | Delete all atoms within 2.844 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te3PdPb3Cl4O10
_chemical_formula_sum "Te3 Pd1 Pb3 Cl4 O10"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | bc5b7470-a6da-4201-a783-560786df2515 | mp-7593 | Delete all atoms within 3.518 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural RbLiF4
_chemical_formula_sum "Rb1 Li1 F4"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_sp... |
DeleteAroundAtomAction | 08483da7-8881-4373-ae96-17d4c1bff58c | mp-26088 | Delete all atoms within 3.402 angstrom around the atom at index 43 in the cif file. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co7P11O40
_chemical_formula_sum "Li4 Co7 P11 O40"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
DeleteAroundAtomAction | 62e9b2b5-912e-4803-9080-39b79d1b6f85 | mp-978968 | Delete all atoms within 2.814 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti5
_chemical_formula_sum "Ti5"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group_name... |
DeleteAroundAtomAction | 20e90b5c-6114-4359-b36a-44c2cea66376 | mp-1181318 | Delete all atoms within 2.724 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural GaN2O4
_chemical_formula_sum "Ga1 N2 O4"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 5d9e46b4-0632-41ab-ac9c-6f6f6e564103 | mp-557662 | Delete all atoms within 2.749 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg5Si6O15F2
_chemical_formula_sum "Ca2 Mg5 Si6 O15 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... |
DeleteAroundAtomAction | d83ba83e-3853-406c-a2ff-666bca51b14c | mp-1045681 | Delete all atoms within 3.612 angstrom around the atom at index 90 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg6Sb8As15Se7O46
_chemical_formula_sum "Mg6 Sb8 As15 Se7 O46"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
DeleteAroundAtomAction | 8733b02e-9e3d-4481-94ee-d048b9fd795a | mp-778762 | Delete all atoms within 3.956 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li4Mn7B8O23
_chemical_formula_sum "Li4 Mn7 B8 O23"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892009
... |
DeleteAroundAtomAction | da2c5dc9-9b38-467a-aab4-9982ba49ef7f | mp-1444506 | Delete all atoms within 3.317 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | b07e9da0-32f9-4e98-85ea-a5b5db33e2b7 | mp-556361 | Delete all atoms within 3.516 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V6Zn2O21
_chemical_formula_sum "Sr4 V6 Zn2 O21"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | f250e76b-3a38-462d-9f7e-9b66718e039e | mp-1175713 | Delete all atoms within 3.128 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural Li2Mn2O10
_chemical_formula_sum "Li2 Mn2 O10"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_group_na... |
DeleteAroundAtomAction | bb06ebe4-2c97-4330-ad5a-650fde2b575c | mp-1028157 | Delete all atoms within 3.064 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg11
_chemical_formula_sum "Mg11"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | 1a87d951-ce85-4ae3-88fe-407f59519be6 | mp-1190549 | Delete all atoms within 3.561 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge3O10
_chemical_formula_sum "Ge3 O10"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... |
DeleteAroundAtomAction | f0f5a84c-d660-49fb-beb3-29a4fb7f5cfb | mp-1304002 | Delete all atoms within 2.291 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6BiO10
_chemical_formula_sum "Li8 Ni6 Bi1 O10"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_space... |
DeleteAroundAtomAction | d4793ed6-78e9-44b0-8a38-916607c592d5 | mp-1239179 | Delete all atoms within 3.073 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural TaCr5Cu4S15
_chemical_formula_sum "Ta1 Cr5 Cu4 S15"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | 6dc58586-e516-4af9-9688-41220532756e | mp-1173233 | Delete all atoms within 2.348 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaBi4O11
_chemical_formula_sum "Sr3 La1 Bi4 O11"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.70229135... |
DeleteAroundAtomAction | e48065e0-d088-419f-9280-48eb30fc4e4a | mp-1195660 | Delete all atoms within 3.246 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba7Ga2B16H13O40
_chemical_formula_sum "Ba7 Ga2 B16 H13 O40"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... |
DeleteAroundAtomAction | b564e096-0124-4ede-9d02-52118e9d5463 | mp-1100732 | Delete all atoms within 2.826 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Mn2Co5O12
_chemical_formula_sum "Li8 Mn2 Co5 O12"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 2aac488f-a295-4f0d-8356-d0e7649f3676 | mp-1189263 | Delete all atoms within 2.083 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N3O9
_chemical_formula_sum "Pd2 N3 O9"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | c22f2010-e135-4c70-82c5-2d6a61e78b74 | mp-1113414 | Delete all atoms within 3.835 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2I5
_chemical_formula_sum "Cs2 I5"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
_space... |
DeleteAroundAtomAction | ba4ff2bc-0c9e-4113-8214-52f891ea0a1a | mp-567194 | Delete all atoms within 2.7 angstrom around the atom at index 71 in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn6Nb36Ge30
_chemical_formula_sum "Mn6 Nb36 Ge30"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 | e6cb0229-dfe0-46e6-9552-675bf0ae62c9 | mp-758705 | Delete all atoms within 1.616 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe8B7O23
_chemical_formula_sum "Li4 Fe8 B7 O23"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... |
DeleteAroundAtomAction | 07a88ebf-6f10-4486-aa02-2c5381df4097 | mp-1221029 | Delete all atoms within 3.308 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr6Ge5O17
_chemical_formula_sum "Na1 Pr6 Ge5 O17"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... |
DeleteAroundAtomAction | 14962f53-555f-4cec-a100-82a53a80ee7e | mp-608522 | Delete all atoms within 2.413 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo18O61
_chemical_formula_sum "Sb4 Mo18 O61"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 | bc7ea4fe-113c-4a67-bd71-a99624e4c316 | mp-607816 | Delete all atoms within 3.023 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U3Fe2Ge2
_chemical_formula_sum "U3 Fe2 Ge2"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 65eb4de1-9ac1-44cc-aa9b-f5736e2f323a | mp-698712 | Delete all atoms within 3.391 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La2Mn5O12F2
_chemical_formula_sum "Sr5 La2 Mn5 O12 F2"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... |
DeleteAroundAtomAction | a6749938-de2b-4a38-bf87-8e37e9351423 | mp-1044670 | Delete all atoms within 2.353 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural ZnAg4O2
_chemical_formula_sum "Zn1 Ag4 O2"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_gr... |
DeleteAroundAtomAction | 5134b4ff-176d-46cd-a14e-8b35ad057712 | mp-773817 | Delete all atoms within 3.171 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn12N12O6
_chemical_formula_sum "Sn12 N12 O6"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... |
DeleteAroundAtomAction | ac363256-030a-4cf8-9eb3-f1fe36f9e564 | mp-569606 | Delete all atoms within 3.55 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2Bi8
_chemical_formula_sum "Mn2 Bi8"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | c244598f-d94d-42aa-a648-1c237f7ea438 | mp-3536 | Delete all atoms within 3.138 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural MgAlO
_chemical_formula_sum "Mg1 Al1 O1"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_spac... |
DeleteAroundAtomAction | 2f92d12c-df05-4364-9930-cb17d8b359ce | mp-767370 | Delete all atoms within 3.401 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li7Ti3Mn5Fe6O30
_chemical_formula_sum "Li7 Ti3 Mn5 Fe6 O30"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | af0d544f-887e-43db-90c0-3936adaa8a7b | mp-554704 | Delete all atoms within 3.054 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P3H4O16
_chemical_formula_sum "Ti4 P3 H4 O16"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | 30358ac4-a1c2-4c36-8d0a-07e772c8fd52 | mp-1214440 | Delete all atoms within 3.916 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural B2
_chemical_formula_sum "B2"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 690d4c00-92e4-428d-841b-3c03bd118671 | mp-758242 | Delete all atoms within 3.885 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural LiW3O15
_chemical_formula_sum "Li1 W3 O15"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.797628810000006
_s... |
DeleteAroundAtomAction | 1455f3f0-af49-425a-a220-6ad086efed8e | mp-766011 | Delete all atoms within 3.372 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural LiCrPO2
_chemical_formula_sum "Li1 Cr1 P1 O2"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.9172383
_spa... |
DeleteAroundAtomAction | 052568bc-132e-4622-9639-cd9182f868b7 | mp-1192939 | Delete all atoms within 3.334 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc2Co8Si6
_chemical_formula_sum "Sc2 Co8 Si6"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | 640558a7-0ad1-47d2-8a90-c74a43a7ff3b | mp-1191000 | Delete all atoms within 3.75 angstrom around the atom at index 5 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 EuNi4
_chemical_formula_sum "Eu1 Ni4"
_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_name_H-M_a... |
DeleteAroundAtomAction | 2071694c-302f-4317-863a-449999352e21 | mp-767370 | Delete all atoms within 3.869 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li6Ti4Mn5Fe6O30
_chemical_formula_sum "Li6 Ti4 Mn5 Fe6 O30"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 75944256-f3ca-4719-8649-2b9080e99cc8 | mp-36100 | Delete all atoms within 3.226 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural S7
_chemical_formula_sum "S7"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 82028b7c-1959-4da6-9e41-02a85ef2d7f3 | mp-24598 | Delete all atoms within 1.756 angstrom around the atom at index 65 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P7H15O39
_chemical_formula_sum "Ba4 V4 P7 H15 O39"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 4facc534-d944-472e-97c1-08ea896eb60c | mp-641191 | Delete all atoms within 3.933 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_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 U8Tl7Mo11O54
_chemical_formula_sum "U8 Tl7 Mo11 O54"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_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 | 0554dac2-eed4-4077-b029-f026a011cb1e | mp-1173626 | Delete all atoms within 3.938 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd2CO6
_chemical_formula_sum "Nd2 C1 O6"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 96adde7d-27ec-4736-ae47-c4a399ccafbe | mp-1191177 | Delete all atoms within 2.105 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co13B2
_chemical_formula_sum "Tb4 Co13 B2"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... |
DeleteAroundAtomAction | 208c189c-fec2-4ee5-9ad6-cf498abbc854 | mp-34237 | Delete all atoms within 2.879 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn11Cu6O18
_chemical_formula_sum "Mn11 Cu6 O18"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... |
DeleteAroundAtomAction | ef171b41-c2ce-46e0-bb35-4824ce01e7b1 | mp-1211273 | Delete all atoms within 3.692 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La2Cr2Se3O3
_chemical_formula_sum "La2 Cr2 Se3 O3"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... |
DeleteAroundAtomAction | 1c552c5e-6997-493c-ae37-abdb1fabede2 | mp-2230683 | Delete all atoms within 2.179 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGe3Bi2O8
_chemical_formula_sum "Mg1 Ge3 Bi2 O8"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_space_... |
DeleteAroundAtomAction | af029ba2-a5ab-4ed9-aaf5-0ccb9c5dc85f | mp-1235023 | Delete all atoms within 3.338 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural ZnO
_chemical_formula_sum "Zn1 O1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999984
_space_gro... |
DeleteAroundAtomAction | 729db34d-347e-4906-b59d-e713bdeb5fad | mp-1211033 | Delete all atoms within 3.118 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu11InFe
_chemical_formula_sum "Lu11 In1 Fe1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_gr... |
DeleteAroundAtomAction | 2e5bfe3c-8911-4500-8460-100836d869cf | mp-1195660 | Delete all atoms within 2.383 angstrom around the atom at index 67 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B18H12O45
_chemical_formula_sum "Ba8 Ga2 B18 H12 O45"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... |
DeleteAroundAtomAction | f43923f8-21c8-408b-83da-7640c5557113 | mp-20461 | Delete all atoms within 3.18 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural BaPb2
_chemical_formula_sum "Ba1 Pb2"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space_group... |
DeleteAroundAtomAction | c71c2411-7d71-4786-92fe-248c7c5fb100 | mp-978968 | Delete all atoms within 2.685 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti5
_chemical_formula_sum "Ti5"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group_name... |
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