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 | ec8c9e10-1240-4b3c-951b-64161f066333 | mp-2395 | Delete all atoms within 2.777 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb11Rh2
_chemical_formula_sum "Sb11 Rh2"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... |
DeleteAroundAtomAction | f11d2a42-196c-4d87-b43f-156525e8ba7a | mp-1223049 | Delete all atoms within 3.403 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La2Br3O
_chemical_formula_sum "La2 Br3 O1"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 47c6d0a1-f4eb-45d4-855d-c4319deacf8c | mp-1075490 | Delete all atoms within 2.829 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg9Si9
_chemical_formula_sum "Mg9 Si9"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | 3902b70e-6f88-4a0b-be25-2968b2b75205 | mp-771953 | Delete all atoms within 2.94 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li3NbNi4O10
_chemical_formula_sum "Li3 Nb1 Ni4 O10"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 31a377fa-96aa-4724-b7b4-5dbefd8680ae | mp-1199329 | Delete all atoms within 2.287 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C7O23
_chemical_formula_sum "Gd4 P4 H4 C7 O23"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... |
DeleteAroundAtomAction | 19e6fa02-9922-4eb7-96e5-5f108ae26f13 | mp-1207972 | Delete all atoms within 3.387 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U2Ti3Ge2
_chemical_formula_sum "U2 Ti3 Ge2"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 4b5a741e-5e3e-404a-a9e3-9416766c39f8 | mp-1226904 | Delete all atoms within 3.476 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural CaAl5Si4O13
_chemical_formula_sum "Ca1 Al5 Si4 O13"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space_... |
DeleteAroundAtomAction | 3a7027a3-550c-4b39-8bdd-eb33103aa9d3 | mp-759390 | Delete all atoms within 2.885 angstrom around the atom at index 58 in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li11Bi7P11O42
_chemical_formula_sum "Li11 Bi7 P11 O42"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 10837719-03fd-4ef9-bb60-dd637f6c991e | mp-2230007 | Delete all atoms within 3.362 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTiAg3S4
_chemical_formula_sum "Cs4 Mg1 Ti1 Ag3 S4"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_n... |
DeleteAroundAtomAction | 5a11156f-1701-4a9b-8f30-81af609e0a33 | mp-1228248 | Delete all atoms within 3.573 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba3NdYCu6O12
_chemical_formula_sum "Ba3 Nd1 Y1 Cu6 O12"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 46967db2-d5a6-42f3-b507-5e1e9199dd28 | mp-676599 | Delete all atoms within 3.2 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural Cu2NO6
_chemical_formula_sum "Cu2 N1 O6"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_spa... |
DeleteAroundAtomAction | 6185bb38-c458-4d27-a338-d13a908b3453 | mp-1202750 | Delete all atoms within 2.334 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P11Ru18
_chemical_formula_sum "Nd5 P11 Ru18"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
DeleteAroundAtomAction | dc9ad018-3894-4022-8e3f-03fdae871587 | mp-1048365 | Delete all atoms within 1.859 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu2O4
_chemical_formula_sum "Y2 Cu2 O4"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... |
DeleteAroundAtomAction | 44957576-63a1-4c02-a170-63e9cb094b9b | mp-775212 | Delete all atoms within 2.497 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P5O20
_chemical_formula_sum "Mn2 V4 P5 O20"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... |
DeleteAroundAtomAction | 790fef40-db89-498c-959a-cfa1e34f4e72 | mp-1245687 | Delete all atoms within 2.884 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ta12Te12N5
_chemical_formula_sum "Ta12 Te12 N5"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | 333bb934-de30-4c2b-9acf-0a137af7bfb3 | mp-556409 | Delete all atoms within 3.957 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba5Ca2Mn4O15
_chemical_formula_sum "Ba5 Ca2 Mn4 O15"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... |
DeleteAroundAtomAction | a15a1795-52b0-4a46-9d5f-d39007bb4c40 | mp-1221261 | Delete all atoms within 1.753 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi7O23
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si7 O23"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
DeleteAroundAtomAction | 3fd7740c-6ec8-40a6-bd25-8ecb609f7293 | mp-15203 | Delete all atoms within 3.979 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li8Ca16W5N27O5
_chemical_formula_sum "Li8 Ca16 W5 N27 O5"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamma ... |
DeleteAroundAtomAction | b0c03700-cd65-4b81-a963-54a518e71ac9 | mp-1205925 | Delete all atoms within 3.999 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 In
_chemical_formula_sum "In1"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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_num... |
DeleteAroundAtomAction | fe05a7f4-1ac4-4b57-97d8-efc8957c8ea9 | mp-27653 | Delete all atoms within 1.685 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al3H15
_chemical_formula_sum "Li4 Al3 H15"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 34b92f36-3ee7-49bc-a8a1-4177afabfe0f | mp-557634 | Delete all atoms within 3.476 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V2P5O16
_chemical_formula_sum "Na2 V2 P5 O16"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
DeleteAroundAtomAction | ed41641e-1ac9-4b19-a14c-7f61d8cd101f | mp-556517 | Delete all atoms within 3.781 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K5PbO4
_chemical_formula_sum "K5 Pb1 O4"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_name... |
DeleteAroundAtomAction | 3d77703d-e849-4311-9599-c3a592298293 | mp-1239078 | Delete all atoms within 3.434 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi13C6
_chemical_formula_sum "Ho8 Bi13 C6"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 | b865a327-60d4-4bd6-9f4f-71076e7ded94 | mp-1105068 | Delete all atoms within 3.045 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaFe4O
_chemical_formula_sum "Ba1 Fe4 O1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_group_... |
DeleteAroundAtomAction | d55803ec-0210-4284-9cd3-e5811dd67275 | mp-857354 | Delete all atoms within 2.905 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural Sn3SbP6O18
_chemical_formula_sum "Sn3 Sb1 P6 O18"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.29544726000001
_s... |
DeleteAroundAtomAction | 11dba1b4-af63-4810-ae88-ef79ef2ba855 | mp-705680 | Delete all atoms within 3.571 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo3O10
_chemical_formula_sum "La4 Mo3 O10"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... |
DeleteAroundAtomAction | b8f90260-50af-45b6-a86f-d1316ef4149c | mp-766004 | Delete all atoms within 1.821 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C7O23
_chemical_formula_sum "Li8 V4 C7 O23"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
DeleteAroundAtomAction | 29797b84-8ce4-4a90-bb73-2c87db57566a | mp-1228545 | Delete all atoms within 2.905 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Y2Cu4O11
_chemical_formula_sum "Ba2 Y2 Cu4 O11"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005
_spac... |
DeleteAroundAtomAction | c003e6ff-40a9-4975-884d-cc0ee23f4138 | mp-1201281 | Delete all atoms within 3.722 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs3Np4Mo4O18
_chemical_formula_sum "Cs3 Np4 Mo4 O18"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 | 8fc3ab93-216b-4e3d-bf6a-b77924d38f6d | mp-14485 | Delete all atoms within 2.869 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural LaTa11O31
_chemical_formula_sum "La1 Ta11 O31"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_spa... |
DeleteAroundAtomAction | 15162c3a-4e0e-403f-90f6-e2fb18b9e111 | mp-696189 | Delete all atoms within 2.818 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural TlH11N5O21
_chemical_formula_sum "Tl1 H11 N5 O21"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.660599589... |
DeleteAroundAtomAction | e028001c-12a3-4b29-b275-a8baa123c4c0 | mp-1217387 | Delete all atoms within 3.584 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 Ge2Rh
_chemical_formula_sum "Ge2 Rh1"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... |
DeleteAroundAtomAction | 97545d41-868e-4c48-8ec9-10bdd912ee76 | mp-1103193 | Delete all atoms within 3.643 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu2Au
_chemical_formula_sum "Eu2 Au1"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group_name_H-... |
DeleteAroundAtomAction | 870a6fd2-051e-4372-b17e-53e8a2f932ca | mp-1229180 | Delete all atoms within 2.792 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag7Sb5As3S13
_chemical_formula_sum "Ag7 Sb5 As3 S13"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
DeleteAroundAtomAction | 02405e08-da11-4408-bc2e-a8dc3a10a093 | mp-568422 | Delete all atoms within 3.707 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural NaAgC3N2
_chemical_formula_sum "Na1 Ag1 C3 N2"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_gro... |
DeleteAroundAtomAction | e984d36d-fddf-405e-a2a6-1d71592b5d96 | mp-1213761 | Delete all atoms within 3.513 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr3Ni6B3O13
_chemical_formula_sum "Cr3 Ni6 B3 O13"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 | 790b2b7c-bd24-4d59-a3a2-5b7b5751e6ac | mp-557801 | Delete all atoms within 3.368 angstrom around the atom at index 60 in the cif file. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural K2Ba4Ca7V13Cu6O49
_chemical_formula_sum "K2 Ba4 Ca7 V13 Cu6 O49"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... |
DeleteAroundAtomAction | 485bd85c-b80e-4d87-ab3e-6e791e56ea09 | mp-1202750 | Delete all atoms within 3.883 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd3P9Ru14
_chemical_formula_sum "Nd3 P9 Ru14"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | c43a6515-7f2d-4a06-9870-ff61f87ffd41 | mp-1104719 | Delete all atoms within 3.722 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe2
_chemical_formula_sum "Fe2"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | c5a08681-ff39-4837-92a5-2dd3cd3e8104 | mp-1196042 | Delete all atoms within 1.518 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H35Pt2N11F12
_chemical_formula_sum "Na4 H35 Pt2 N11 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
DeleteAroundAtomAction | 8273ae0f-f262-45cf-8621-c925b1e1e96d | mp-1347506 | Delete all atoms within 2.209 angstrom around the atom at index 8 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 Mg2Cu2IrO11
_chemical_formula_sum "Mg2 Cu2 Ir1 O11"
_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 "... |
DeleteAroundAtomAction | 5b43df81-f639-42a0-88c5-aa668ad48d22 | mp-777558 | Delete all atoms within 3.792 angstrom around the atom at index 55 in the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li23Ti2Cr11O37
_chemical_formula_sum "Li23 Ti2 Cr11 O37"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... |
DeleteAroundAtomAction | d8a2a7d3-8885-4bbc-9b1b-41a41c830c72 | mp-1080028 | Delete all atoms within 3.033 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_space_group_name_H-M_... |
DeleteAroundAtomAction | 5d90f81a-f0a5-47a2-8541-7caf1ff305fe | mp-1175073 | Delete all atoms within 3.848 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiCoO4
_chemical_formula_sum "Li1 Co1 O4"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | 580b74e6-87fe-4693-b691-103dbcf46af0 | mp-1228475 | Delete all atoms within 3.241 angstrom around the atom at index 3 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 Ba9Mn2Co8O19
_chemical_formula_sum "Ba9 Mn2 Co8 O19"
_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 | 742eb595-4b36-4a53-a8cf-90f41ef3e582 | mp-505638 | Delete all atoms within 3.72 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb11Cr4Se19
_chemical_formula_sum "Tb11 Cr4 Se19"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 53a95c7a-d932-40bf-9b7e-5e3895f94331 | mp-2227274 | Delete all atoms within 3.913 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural WBr2O
_chemical_formula_sum "W1 Br2 O1"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.18080037
_spa... |
DeleteAroundAtomAction | 8e0d2db7-c579-48cd-8cb3-1477a369142d | mp-773104 | Delete all atoms within 2.939 angstrom around the atom at index 63 in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr20Fe14O46
_chemical_formula_sum "Sr20 Fe14 O46"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
DeleteAroundAtomAction | ca497402-e1d3-4a25-9b3c-dd4b28a157a1 | mp-1644899 | Delete all atoms within 2.858 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V3C7O21
_chemical_formula_sum "Li6 V3 C7 O21"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
DeleteAroundAtomAction | e6b09a06-4777-411d-b239-4b4d16952c9b | mp-1183955 | Delete all atoms within 3.363 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs3S4
_chemical_formula_sum "Cs3 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_space... |
DeleteAroundAtomAction | cc6df7fb-4022-4d43-aef6-b8811f83a81b | mp-770517 | Delete all atoms within 3.055 angstrom around the atom at index 69 in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li33Al3Ni6O29
_chemical_formula_sum "Li33 Al3 Ni6 O29"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | dda36a70-3ba6-484b-b3aa-1c67c1dd1943 | mp-1226835 | Delete all atoms within 3.806 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CeRu
_chemical_formula_sum "Ce1 Ru1"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 24dd4e44-1ffb-437b-a668-020b84bcf20a | mp-1182591 | Delete all atoms within 3.532 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn4
_chemical_formula_sum "Ho3 Sn4"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | d0d26480-731f-4374-81a1-7d3420aabb73 | mp-2526683 | Delete all atoms within 2.285 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W5O20
_chemical_formula_sum "W5 O20"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
DeleteAroundAtomAction | 6a1d0e2a-e9c4-42fd-9d38-3e3e6544a119 | mp-1245329 | Delete all atoms within 3.988 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn31O34
_chemical_formula_sum "Sn31 O34"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... |
DeleteAroundAtomAction | aadfb719-1267-46f6-ba75-91d57d22995c | mp-568040 | Delete all atoms within 3.081 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi2
_chemical_formula_sum "La2 Al1 Ni2"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... |
DeleteAroundAtomAction | dfb59a93-ea25-4124-8787-0a78debb8369 | mp-1234087 | Delete all atoms within 2.565 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P5O20
_chemical_formula_sum "Mg1 Mn4 Cu2 P5 O20"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... |
DeleteAroundAtomAction | daad4dea-fb2f-4d93-ac94-2e57afa53c6d | mp-17177 | Delete all atoms within 2.675 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 Nb6Zn3O22
_chemical_formula_sum "Nb6 Zn3 O22"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 | 02e2f8a1-6c78-406b-986c-27439ff194bc | mp-24064 | Delete all atoms within 2.522 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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... | data_image0
_chemical_formula_structural P3H3F6
_chemical_formula_sum "P3 H3 F6"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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 | 3e819e67-4877-4d17-8d6a-0709c616b89d | mp-1022213 | Delete all atoms within 3.875 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 Mg5NbFe
_chemical_formula_sum "Mg5 Nb1 Fe1"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 | 3acb0798-7d65-4a67-9c79-5533efeafebf | mp-1112234 | Delete all atoms within 3.194 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_nam... |
DeleteAroundAtomAction | 0b7c7b68-44fb-453d-b98b-0105fc736197 | mp-607816 | Delete all atoms within 3.294 angstrom around the atom at index 2 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 U3Fe
_chemical_formula_sum "U3 Fe1"
_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 "P 1"
_s... |
DeleteAroundAtomAction | fb9e7425-f7bb-4799-9e0a-d8d68fc2e5d1 | mp-1043054 | Delete all atoms within 2.961 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn3Ni3P7O30
_chemical_formula_sum "Ti4 Zn3 Ni3 P7 O30"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | ede407db-92ff-4f9a-ac22-1842a9201e0d | mp-1195664 | Delete all atoms within 3.397 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 Sr6P23Br4
_chemical_formula_sum "Sr6 P23 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 | 0520b68c-ef15-4de9-8d01-fd538306622d | mp-28355 | Delete all atoms within 3.93 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na3Ge2Se7
_chemical_formula_sum "Na3 Ge2 Se7"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_group... |
DeleteAroundAtomAction | f547c45a-9cb5-40e3-8a09-5bf3e1f820cb | mp-755078 | Delete all atoms within 3.394 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti3NO7
_chemical_formula_sum "Sr2 Ti3 N1 O7"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
_s... |
DeleteAroundAtomAction | 54000a21-6ac3-4bea-ab95-3983de2d007c | mp-2218385 | Delete all atoms within 3.202 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MnO
_chemical_formula_sum "Mn1 O1"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_group_name_H-M_a... |
DeleteAroundAtomAction | e7a15f07-c62b-4662-b3e3-b542aeeb5267 | mp-568987 | Delete all atoms within 2.355 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4BeH4
_chemical_formula_sum "Na4 Be1 H4"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | a3a3b78d-25bc-4186-a9a2-5c0367560eab | mp-1188599 | Delete all atoms within 3.328 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb7Au3
_chemical_formula_sum "Gd6 Sb7 Au3"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
DeleteAroundAtomAction | b4260002-1e83-4e74-bb50-f6efea00365f | mp-1214189 | Delete all atoms within 3.373 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be3Si3C7SO18
_chemical_formula_sum "Be3 Si3 C7 S1 O18"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 9574e698-7b17-4deb-a539-4f8d2786e5cc | mp-981356 | Delete all atoms within 3.755 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural Fe3Ge
_chemical_formula_sum "Fe3 Ge1"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space_group_... |
DeleteAroundAtomAction | 0f90ef8e-5742-4eaf-a249-2ed28f74c1da | mp-697575 | Delete all atoms within 2.092 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn3H15
_chemical_formula_sum "Rb8 Zn3 H15"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 | 090001be-08a5-4fbc-a7b1-c1ae300b4802 | mp-1233200 | Delete all atoms within 2.526 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn3O4F7
_chemical_formula_sum "Mg1 Mn3 O4 F7"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... |
DeleteAroundAtomAction | c7223825-a809-4138-bfbc-4369b6695786 | mp-1179727 | Delete all atoms within 2.788 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh11S11Cl55
_chemical_formula_sum "Rh11 S11 Cl55"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... |
DeleteAroundAtomAction | 05343b2d-a1a0-4538-b49a-cb0e8342748d | mp-1215706 | Delete all atoms within 3.808 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | a9791d8f-15e8-4f98-82e7-5a7b58da1158 | mp-771831 | Delete all atoms within 3.704 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr6La3Cl23
_chemical_formula_sum "Sr6 La3 Cl23"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | b312ddd3-6806-42a5-8ee9-cb6e92799b57 | mp-1233037 | Delete all atoms within 1.86 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4AlFe2O11
_chemical_formula_sum "Ca1 Tb4 Al1 Fe2 O11"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space_... |
DeleteAroundAtomAction | 91cbfd69-1af4-4427-ac66-234f49d2da4e | mp-558219 | Delete all atoms within 3.295 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2LiB6S8
_chemical_formula_sum "Sr2 Li1 B6 S8"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_nam... |
DeleteAroundAtomAction | 0b2c56d1-c57c-4692-ac0c-f94b5c34bdee | mp-1173973 | Delete all atoms within 2.786 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural LiMnO
_chemical_formula_sum "Li1 Mn1 O1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_space_gro... |
DeleteAroundAtomAction | 97b766ff-04f5-43ea-9b34-eb024db91b26 | mp-1049235 | Delete all atoms within 2.105 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2TaZn2CrO11
_chemical_formula_sum "La2 Ta1 Zn2 Cr1 O11"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
DeleteAroundAtomAction | efc4aa2d-937e-4193-94c3-4abb57f97a12 | mp-572465 | Delete all atoms within 2.56 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr3Cu3P7S23
_chemical_formula_sum "Cr3 Cu3 P7 S23"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e75bc3f8-9dd6-425f-89cd-12eaf3588900 | mp-1188256 | Delete all atoms within 3.09 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U3Ni4Se4
_chemical_formula_sum "U3 Ni4 Se4"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 | eaefe25a-4657-477c-94ad-f0ecfe1af388 | mp-1201935 | Delete all atoms within 3.479 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K7P8H12O21
_chemical_formula_sum "K7 P8 H12 O21"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 47f6c5ce-57f2-421d-b62d-e15f82b37ab2 | mp-8762 | Delete all atoms within 2.777 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er5S7O4
_chemical_formula_sum "Er5 S7 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 0b820e8f-948b-4e21-bb1f-ed814081e234 | mp-1195020 | Delete all atoms within 3.04 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P7Se23
_chemical_formula_sum "Pr4 Tl4 P7 Se23"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 5330df82-7081-403d-8f5d-499935387d85 | mp-756349 | Delete all atoms within 1.765 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP3O15
_chemical_formula_sum "Mn3 Cu1 P3 O15"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 486a2231-b6a8-4d98-896c-9b4c4419551f | mp-1328951 | Delete all atoms within 1.988 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn3Zn4O31
_chemical_formula_sum "Ta8 Mn3 Zn4 O31"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... |
DeleteAroundAtomAction | 668b54dd-8283-4444-acbf-2db737f6cda3 | mp-1245786 | Delete all atoms within 3.107 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In11Ga5N12
_chemical_formula_sum "In11 Ga5 N12"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 | ff552415-795c-4158-98ef-3e91b458e6b0 | mp-753939 | Delete all atoms within 3.025 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 Li3Sn2P3O12
_chemical_formula_sum "Li3 Sn2 P3 O12"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 | dcd4b435-ecf9-4e04-97b1-a166f8123490 | mp-752419 | Delete all atoms within 3.803 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr3Ca2I15
_chemical_formula_sum "Sr3 Ca2 I15"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 902236d3-dbdb-4f6b-a644-0c45fb0cd1f7 | mp-1026593 | Delete all atoms within 3.615 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg5
_chemical_formula_sum "Cs1 Mg5"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 56d358ea-38bb-41d0-a9bb-f9e9419b628d | mp-2753 | Delete all atoms within 3.453 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl10S11
_chemical_formula_sum "Tl10 S11"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 30c98598-ec4e-4d8b-ad3c-55a903c96aa0 | mp-1201334 | Delete all atoms within 3.835 angstrom around the atom at index 12 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 NiH9CN2O6
_chemical_formula_sum "Ni1 H9 C1 N2 O6"
_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_name_H-M_alt... |
DeleteAroundAtomAction | 542f92e7-ca80-401e-b4e2-e92456adb1e2 | mp-1246366 | Delete all atoms within 3.911 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural ZrAgS
_chemical_formula_sum "Zr1 Ag1 S1"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
_space_gro... |
DeleteAroundAtomAction | 67637dfc-b13b-4e44-9abb-9a500b7a6a29 | mp-756744 | Delete all atoms within 1.748 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B5O15
_chemical_formula_sum "Li6 Co6 B5 O15"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... |
DeleteAroundAtomAction | 3b2a20f8-5556-4622-ab70-c1251e752c9b | mp-1233814 | Delete all atoms within 3.946 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr2PO11
_chemical_formula_sum "Cr2 P1 O11"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 56a1c468-613c-460d-8418-e8cff26753a3 | mp-6955 | Delete all atoms within 2.597 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge3NO3
_chemical_formula_sum "K4 Ge3 N1 O3"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 | 0490a18e-d6e8-4a37-9b1e-033b0cc61035 | mp-1046251 | Delete all atoms within 3.484 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta2W2O6
_chemical_formula_sum "Ta2 W2 O6"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_group_name... |
DeleteAroundAtomAction | 54ffa588-7a8a-42fc-90ad-70bcdc26cbf8 | mp-1229067 | Delete all atoms within 2.334 angstrom around the atom at index 46 in the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu13O31
_chemical_formula_sum "Ba10 Y5 Cu13 O31"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... |
DeleteAroundAtomAction | b3ab552a-0f0d-40f1-8a66-6cfea7f23f08 | mp-1275723 | Delete all atoms within 2.528 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co5O10
_chemical_formula_sum "Li6 Mn2 Co5 O10"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... |
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