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 | 703c1d59-1b94-42b0-a3bf-aef78533556d | mp-1521970 | Delete all atoms within 2.865 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sr3Ca4Eu3Bi3O23
_chemical_formula_sum "Sr3 Ca4 Eu3 Bi3 O23"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 7ccf8105-7d5d-4af8-a871-3fb3df9c0183 | mp-1239141 | Delete all atoms within 2.624 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr5Cu4S10
_chemical_formula_sum "Ta2 Cr5 Cu4 S10"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 1062f1f2-8c35-40f4-9063-048fdacbc6ef | mp-607917 | Delete all atoms within 3.471 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La20Fe6Sn5C10
_chemical_formula_sum "La20 Fe6 Sn5 C10"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
DeleteAroundAtomAction | f552211e-1a34-451b-b1da-a23b20520b07 | mp-695887 | Delete all atoms within 3.912 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural KCuP2O6
_chemical_formula_sum "K1 Cu1 P2 O6"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_space_gro... |
DeleteAroundAtomAction | 00d59b82-847c-4d83-8f8e-41f96a81abb7 | mp-1245505 | Delete all atoms within 2.456 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural MnVN5
_chemical_formula_sum "Mn1 V1 N5"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 6953b644-9764-4c15-8fbb-2b55516bea65 | mp-541094 | Delete all atoms within 3.141 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... | data_image0
_chemical_formula_structural Ta4Hg3S2O8F18
_chemical_formula_sum "Ta4 Hg3 S2 O8 F18"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... |
DeleteAroundAtomAction | 38be2ffd-b74b-4082-86ef-6bf09070e21f | mp-1029952 | Delete all atoms within 3.17 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Mo2WS2
_chemical_formula_sum "Te4 Mo2 W1 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M_... |
DeleteAroundAtomAction | b1530b49-26fa-4be7-83f5-d77831e7db25 | mp-1197808 | Delete all atoms within 2.112 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 Ca4Sn3O23
_chemical_formula_sum "Ca4 Sn3 O23"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 | 4bf3c7cd-37a3-4358-8650-cfebdd77ce0f | mp-1041051 | Delete all atoms within 3.271 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca5V12O20
_chemical_formula_sum "Ca5 V12 O20"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... |
DeleteAroundAtomAction | 841a1465-0d5e-4881-a0b0-b2772bd31e63 | mp-1204185 | Delete all atoms within 2.181 angstrom around the atom at index 35 in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te7W6O39
_chemical_formula_sum "Ag12 Te7 W6 O39"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
DeleteAroundAtomAction | de149b8f-8642-48c6-bb9b-1bdd48c57510 | mp-560603 | Delete all atoms within 2.759 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na3Mg2Si8O17
_chemical_formula_sum "Na3 Mg2 Si8 O17"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 39a8bbdf-c8e5-4c1a-8a2b-761dbc6fd15e | mp-703305 | Delete all atoms within 2.11 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P3H3O15
_chemical_formula_sum "Na8 P3 H3 O15"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | b7facd67-f9df-433d-bf86-84630e48597a | mp-1220650 | Delete all atoms within 3.23 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nb3B16Mo9
_chemical_formula_sum "Nb3 B16 Mo9"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | d30ceaf0-c2b9-443d-9057-81e20c162764 | mp-1028096 | Delete all atoms within 3.703 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg5Mn
_chemical_formula_sum "Mg5 Mn1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | b8669fa7-5168-4054-9b2e-f94914ec8ffe | mp-27041 | Delete all atoms within 2.175 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... | data_image0
_chemical_formula_structural Li2CrPO7
_chemical_formula_sum "Li2 Cr1 P1 O7"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_grou... |
DeleteAroundAtomAction | 00a3d31e-02f3-4fef-be6b-476f69f05662 | mp-753731 | Delete all atoms within 3.912 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ba3Ca2I6
_chemical_formula_sum "Ba3 Ca2 I6"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 | a8d02e6c-fa7c-4eb4-9dff-a945a0b8c0e8 | mp-17728 | Delete all atoms within 3.184 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta4Ge3
_chemical_formula_sum "Ta4 Ge3"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_H-... |
DeleteAroundAtomAction | 26a75651-0b0f-4b9b-b775-d22eab4035ee | mp-753829 | Delete all atoms within 2.215 angstrom around the atom at index 9 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 | 5a3af807-cc2d-4fd8-9cca-43c36a616cee | mp-615141 | Delete all atoms within 2.758 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural PbCl4
_chemical_formula_sum "Pb1 Cl4"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 9ffd51a5-8f72-4b2a-94c4-b227ceebdd43 | mp-559248 | Delete all atoms within 2.346 angstrom around the atom at index 74 in the cif file. | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V3H37N8O8F15
_chemical_formula_sum "V3 H37 N8 O8 F15"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | f153a0a4-4406-427a-bcd3-6059bacbe8dc | mp-1221196 | Delete all atoms within 3.802 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural Na4Si2
_chemical_formula_sum "Na4 Si2"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 420177c5-2650-4c87-92ec-e03627aaada2 | mp-1032871 | Delete all atoms within 2.572 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg5AlO4
_chemical_formula_sum "Hf1 Mg5 Al1 O4"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 10503744-c9f1-466f-bdce-fa87f5d203f3 | mp-1225071 | Delete all atoms within 2.712 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErCu2
_chemical_formula_sum "Er1 Cu2"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_space_gro... |
DeleteAroundAtomAction | cfa8625f-ddb2-4ed3-ac1b-9e314e7eedf6 | mp-1644899 | Delete all atoms within 2.912 angstrom around the atom at index 26 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 Li4V3C7O19
_chemical_formula_sum "Li4 V3 C7 O19"
_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 | 5012be5d-3199-4d62-b5ab-fc2ddb53553c | mp-1023480 | Delete all atoms within 3.639 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg5AlNi
_chemical_formula_sum "Mg5 Al1 Ni1"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 | 0ad3096b-763d-4a69-b1fb-a554178cb3ea | mp-778508 | Delete all atoms within 3.733 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li8Mn3V4P9O38
_chemical_formula_sum "Li8 Mn3 V4 P9 O38"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.57706077... |
DeleteAroundAtomAction | daf91068-85cd-4c7f-8faf-49ce2b8cb803 | mp-779444 | Delete all atoms within 2.81 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li3Mn2Fe2B3O9
_chemical_formula_sum "Li3 Mn2 Fe2 B3 O9"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_gr... |
DeleteAroundAtomAction | 1980c785-7f31-4c99-b9cc-380fa2658cc7 | mp-777904 | Delete all atoms within 2.352 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti5Cr2O10
_chemical_formula_sum "Li4 Ti5 Cr2 O10"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... |
DeleteAroundAtomAction | fc3b4f13-4889-4004-b14d-5616d5044167 | mp-1020592 | Delete all atoms within 2.938 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr7Li4Si8N12O
_chemical_formula_sum "Sr7 Li4 Si8 N12 O1"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 184294f9-6f68-4f11-8e9a-cae3e7064584 | mp-1386638 | Delete all atoms within 3.139 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na3CuP3O11
_chemical_formula_sum "Na3 Cu1 P3 O11"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_g... |
DeleteAroundAtomAction | 8fbd3a0b-2df3-4f2f-8677-e67e003fbe40 | mp-19489 | Delete all atoms within 2.769 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co3B19O34
_chemical_formula_sum "Sm4 Co3 B19 O34"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
DeleteAroundAtomAction | c01a22ff-97ca-4cd2-8ee4-5d55e09fa415 | mp-6955 | Delete all atoms within 2.166 angstrom around the atom at index 12 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 K4Ge3N4O3
_chemical_formula_sum "K4 Ge3 N4 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_grou... |
DeleteAroundAtomAction | 5a3cb861-07a2-417c-9251-3ad803b5748f | mp-770361 | Delete all atoms within 3.141 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li3V6B4O14
_chemical_formula_sum "Li3 V6 B4 O14"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 | 2d111dd9-6c31-48a8-8bc2-8f1e1b2652c3 | mp-7998 | Delete all atoms within 2.99 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge2O3
_chemical_formula_sum "Li4 Ge2 O3"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 942f277a-3226-4ddd-b537-0a5d1352c6d7 | mp-1190131 | Delete all atoms within 3.836 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 LaSc2S3
_chemical_formula_sum "La1 Sc2 S3"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 | c871e64f-c889-4b1f-beb8-927600dd45a9 | mp-1105068 | Delete all atoms within 3.497 angstrom around the atom at index 2 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 BaYO2
_chemical_formula_sum "Ba1 Y1 O2"
_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_na... |
DeleteAroundAtomAction | 320dd0de-c6c3-4350-94ab-c8edbe3bec01 | mp-774789 | Delete all atoms within 3.609 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li6Ti4Co4Sb5O20
_chemical_formula_sum "Li6 Ti4 Co4 Sb5 O20"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... |
DeleteAroundAtomAction | df589023-2558-4412-86f3-8e8c7a948faf | mp-23013 | Delete all atoms within 3.2 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U2Cl6O6
_chemical_formula_sum "U2 Cl6 O6"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | 897710e5-335a-4067-a49e-27eb2277e98a | mp-1220955 | Delete all atoms within 3.191 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe2As2
_chemical_formula_sum "Na1 Sr2 Fe2 As2"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... |
DeleteAroundAtomAction | 646a93b3-3175-4cf1-acb4-a374ded2d97c | mp-1110736 | Delete all atoms within 3.88 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Rb2Br
_chemical_formula_sum "Rb2 Br1"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
DeleteAroundAtomAction | 9360dad6-ef74-4cd4-9db4-844397baaa39 | mp-1360929 | Delete all atoms within 2.607 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr5Fe3O23
_chemical_formula_sum "Mg3 Cr5 Fe3 O23"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... |
DeleteAroundAtomAction | 68400d7c-4a6f-4e01-b3b9-25c10ebdd95f | mp-770481 | Delete all atoms within 3.312 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9O21
_chemical_formula_sum "Ta9 O21"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name_H-M... |
DeleteAroundAtomAction | f6d69ea2-d401-4e50-b40c-8431454243ec | mp-1193081 | Delete all atoms within 3.234 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs11Cr4O9
_chemical_formula_sum "Cs11 Cr4 O9"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002
... |
DeleteAroundAtomAction | ea4965bc-0d41-479a-89b9-ec8ac6c7ae06 | mp-13514 | Delete all atoms within 3.337 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural NdB2O
_chemical_formula_sum "Nd1 B2 O1"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space_gro... |
DeleteAroundAtomAction | d7b65926-dcf5-45f5-9452-1a46f142d3e4 | mp-17256 | Delete all atoms within 3.754 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb3Hf2F14
_chemical_formula_sum "Rb3 Hf2 F14"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.331936770000006
_s... |
DeleteAroundAtomAction | 38b6a8d0-e0f8-40b0-81b6-d76aa1dfdb3d | mp-1221954 | Delete all atoms within 2.38 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTiZn
_chemical_formula_sum "Mg1 Ti1 Zn1"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787703999... |
DeleteAroundAtomAction | 8755e0f3-931f-4bfc-9965-2d7e8bf72f10 | mp-1181584 | Delete all atoms within 1.427 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural H14C3N15O8
_chemical_formula_sum "H14 C3 N15 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... |
DeleteAroundAtomAction | 286cf108-011d-4162-b5a7-8fdbe3380842 | mp-1193732 | Delete all atoms within 2.705 angstrom around the atom at index 12 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 Te4PdPb4Cl3O12
_chemical_formula_sum "Te4 Pd1 Pb4 Cl3 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_... |
DeleteAroundAtomAction | dc0ba962-0906-476d-b0b9-96a31143e8ee | mp-29829 | Delete all atoms within 2.384 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li4Au3S2
_chemical_formula_sum "Li4 Au3 S2"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... |
DeleteAroundAtomAction | d1521bb4-3010-4405-b4f7-448f56e81aea | mp-1031226 | Delete all atoms within 2.348 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg5TiO4
_chemical_formula_sum "Rb1 Mg5 Ti1 O4"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | eb2a34b2-cd3e-49b4-a7a6-c81f8f2e2cc4 | mp-29226 | Delete all atoms within 3.709 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca8Ga8O21
_chemical_formula_sum "Ca8 Ga8 O21"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_name... |
DeleteAroundAtomAction | d59bc4af-af1e-42f1-b26b-bf3a78fe7ac2 | mp-531661 | Delete all atoms within 3.167 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd9Ti12O32
_chemical_formula_sum "Nd9 Ti12 O32"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_gr... |
DeleteAroundAtomAction | 02d69aa9-5050-4b3c-9785-b72a44b64fff | mp-27330 | Delete all atoms within 2.828 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural OsO5
_chemical_formula_sum "Os1 O5"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_space_group_n... |
DeleteAroundAtomAction | 34d9232b-cf67-4f62-8fa9-62303804109a | mp-685992 | Delete all atoms within 2.971 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li7Cr4Cl11
_chemical_formula_sum "Li7 Cr4 Cl11"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... |
DeleteAroundAtomAction | 9a2494ec-3609-4669-807b-b93efe5f31b4 | mp-1198379 | Delete all atoms within 3.24 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U7Cl8O34
_chemical_formula_sum "U7 Cl8 O34"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 2a959568-262d-45fd-84b7-ae1264de4dff | mp-779456 | Delete all atoms within 3.592 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y5Re2O11
_chemical_formula_sum "Y5 Re2 O11"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 | f3966fba-2f22-4ce5-a823-553f2f40063b | mp-29057 | Delete all atoms within 3.996 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Br
_chemical_formula_sum "Br1"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | ac1c37b0-4913-46b1-8001-a40ffe8d9923 | mp-2503 | Delete all atoms within 3.398 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd7Se4
_chemical_formula_sum "Pd7 Se4"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_al... |
DeleteAroundAtomAction | f0ffcfb9-9cc4-465f-8f52-c0280374faa0 | mp-1343823 | Delete all atoms within 2.659 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca3Ta2Sb2O8
_chemical_formula_sum "Ca3 Ta2 Sb2 O8"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | a8657369-2281-4f72-be39-3bd96d898fd8 | mp-1191448 | Delete all atoms within 3.164 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural CoI2O8
_chemical_formula_sum "Co1 I2 O8"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-M_a... |
DeleteAroundAtomAction | d053aac1-fd75-4f34-9468-1b121515a175 | mp-1225420 | Delete all atoms within 2.685 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural FeW2N6
_chemical_formula_sum "Fe1 W2 N6"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space_... |
DeleteAroundAtomAction | 98c2cf43-7a47-4929-9b1c-7bfbad24af57 | mp-1044670 | Delete all atoms within 2.833 angstrom around the atom at index 0 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 ZnAg4O4
_chemical_formula_sum "Zn1 Ag4 O4"
_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 | 6e4fbe66-416b-4973-8d46-2053ed7ec5f8 | mp-1110571 | Delete all atoms within 3.455 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural F
_chemical_formula_sum "F1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 9bcad5dd-ee30-4aca-88d7-d47226050a8e | mp-558102 | Delete all atoms within 3.244 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KLiSiO6
_chemical_formula_sum "K1 Li1 Si1 O6"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 2cd1a3e1-431d-4a05-9376-e4c47a44a052 | mp-1219949 | Delete all atoms within 3.19 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural PrAlFe6
_chemical_formula_sum "Pr1 Al1 Fe6"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239
_... |
DeleteAroundAtomAction | 884973fb-f947-47b6-8dbe-d524cf4c6754 | mp-1201394 | Delete all atoms within 1.822 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H30N15
_chemical_formula_sum "K8 Zn4 H30 N15"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 18497dad-240d-4e37-97fb-0d4da51e5503 | mp-18953 | Delete all atoms within 3.788 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural VOF
_chemical_formula_sum "V1 O1 F1"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
DeleteAroundAtomAction | f93aa1d3-397a-46c9-a506-f7377928c85d | mp-580525 | Delete all atoms within 3.673 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy9Ni11Sn20
_chemical_formula_sum "Dy9 Ni11 Sn20"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
DeleteAroundAtomAction | aa957327-f64b-4c02-a0cc-47622593cbab | mp-1105973 | Delete all atoms within 3.779 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Sc3Ag2Se4
_chemical_formula_sum "Sc3 Ag2 Se4"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 095fc852-f264-451b-895e-f82cd954af95 | mp-1228192 | Delete all atoms within 2.958 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al5Si3Mo3
_chemical_formula_sum "Al5 Si3 Mo3"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... |
DeleteAroundAtomAction | 66286a4a-d151-4d57-97b4-c29abd3bb7c5 | mp-774885 | Delete all atoms within 2.672 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3Co2P5O20
_chemical_formula_sum "V3 Co2 P5 O20"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600885
_... |
DeleteAroundAtomAction | 92222cf5-96ca-4c12-8863-fb0b627b9607 | mp-787524 | Delete all atoms within 2.304 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li7Fe2W6O20
_chemical_formula_sum "Li7 Fe2 W6 O20"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... |
DeleteAroundAtomAction | aa5d1546-8d41-4c5d-8f4d-0e11c5c79302 | mp-2217353 | Delete all atoms within 3.498 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural Ba2BiO3
_chemical_formula_sum "Ba2 Bi1 O3"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_name_H-M... |
DeleteAroundAtomAction | e6f4ca2a-c1b7-48f9-95bc-3defa75b7883 | mp-1234726 | Delete all atoms within 3.917 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe5O3F3
_chemical_formula_sum "Mg1 Fe5 O3 F3"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... |
DeleteAroundAtomAction | 4653f702-4faf-488c-aead-63b73354a9b0 | mp-18051 | Delete all atoms within 2.14 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti3O19
_chemical_formula_sum "La8 Ti3 O19"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
DeleteAroundAtomAction | 0bfe92d4-2257-4bbd-ae90-40d00bb26fd1 | mp-1020027 | Delete all atoms within 3.318 angstrom around the atom at index 30 in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li12P7O21
_chemical_formula_sum "Li12 P7 O21"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 3e908773-8299-42e1-b9df-e3905ba6faca | mp-1214552 | Delete all atoms within 2.574 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu5Si36
_chemical_formula_sum "Ba8 Cu5 Si36"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
DeleteAroundAtomAction | fbbbab06-49b5-45a5-8fa4-db4defabb9e1 | mp-1191101 | Delete all atoms within 2.181 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4B3O9
_chemical_formula_sum "K4 Mg4 B3 O9"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 9f5042df-7a83-4e2a-b8b6-476c6e83ad12 | mp-1210838 | Delete all atoms within 3.048 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural MgPH12N2O6
_chemical_formula_sum "Mg1 P1 H12 N2 O6"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 6d123873-e2d7-4114-a052-35a358280096 | mp-1079648 | Delete all atoms within 2.8 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge3Rh
_chemical_formula_sum "U2 Ge3 Rh1"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | 89d5d8ee-139b-4054-bbd1-45f6a775e950 | mp-1238837 | Delete all atoms within 2.501 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B23H22
_chemical_formula_sum "B23 H22"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
DeleteAroundAtomAction | b1d5008a-cba1-4783-b2e9-4bc46935eac7 | mp-1205925 | Delete all atoms within 3.333 angstrom around the atom at index 7 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 SmAu2
_chemical_formula_sum "Sm1 Au2"
_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... |
DeleteAroundAtomAction | 1ad3b909-5f23-4835-83c2-65811dfd1d5f | mp-1110571 | Delete all atoms within 3.441 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na2Cr
_chemical_formula_sum "Na2 Cr1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 722d64c0-55a7-4cb0-96da-471ad1fe8f78 | mp-1202750 | Delete all atoms within 3.249 angstrom around the atom at index 25 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 Nd3P9Ru15
_chemical_formula_sum "Nd3 P9 Ru15"
_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 | 8c2f3b70-fd4e-45ac-b213-9b632e71ea6c | mp-1101922 | Delete all atoms within 3.648 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural EuFe
_chemical_formula_sum "Eu1 Fe1"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 1ca25111-8269-4548-844f-b46a9c458174 | mp-1246013 | Delete all atoms within 3.651 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural VCN2
_chemical_formula_sum "V1 C1 N2"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | b5e21a95-e320-4783-ab38-ed3b5618ec75 | mp-1180291 | Delete all atoms within 2.088 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O16
_chemical_formula_sum "Mn1 Fe2 P2 O16"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
DeleteAroundAtomAction | e72d447f-8089-4cc6-937e-e33aabb25f89 | mp-3792 | Delete all atoms within 2.741 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 YAl2O5
_chemical_formula_sum "Y1 Al2 O5"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | b564cca6-8c66-4601-ae7d-72a9658ec395 | mp-607917 | Delete all atoms within 2.761 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La20Fe8Sn7C10
_chemical_formula_sum "La20 Fe8 Sn7 C10"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
DeleteAroundAtomAction | 262d9463-5f0c-475f-bcb9-9ed67fe7f909 | mp-2228789 | Delete all atoms within 2.493 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural Fe4O5F6
_chemical_formula_sum "Fe4 O5 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_name_H-... |
DeleteAroundAtomAction | be6e6267-5192-4bcb-adf7-6a6b4994ecdd | mp-2232136 | Delete all atoms within 3.795 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural VO2
_chemical_formula_sum "V1 O2"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 7d147bb0-804f-4f8e-a58c-66e5a9ae1efe | mp-804134 | Delete all atoms within 3.504 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li3O2
_chemical_formula_sum "Li3 O2"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846
_space_group_n... |
DeleteAroundAtomAction | 8aab4367-f902-406b-94a7-3bf7e819843e | mp-1233214 | Delete all atoms within 2.588 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2Fe3O9
_chemical_formula_sum "Ba2 Y2 Fe3 O9"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 | c6acfa37-df42-46d4-b708-43acc56f350b | mp-850933 | Delete all atoms within 3.913 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe2O6
_chemical_formula_sum "Fe2 O6"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_space_gr... |
DeleteAroundAtomAction | 115e77f4-809a-41e7-9569-8ef08e825515 | mp-776026 | Delete all atoms within 2.734 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 Li8Fe7F18
_chemical_formula_sum "Li8 Fe7 F18"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 | 0dda8bc9-5338-427f-89d9-274ed2d2a947 | mp-1208177 | Delete all atoms within 3.275 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U4Co
_chemical_formula_sum "U4 Co1"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gro... |
DeleteAroundAtomAction | 00702afe-4426-4666-837e-f767c8504184 | mp-1219042 | Delete all atoms within 2.632 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmCo4
_chemical_formula_sum "Sm1 Co4"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group_name_H... |
DeleteAroundAtomAction | 5a130186-f6f2-4107-a45c-e5e70a42914a | mp-1026556 | Delete all atoms within 3.454 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg5C
_chemical_formula_sum "Mg5 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 8b41c626-abf8-4b09-864a-05b072d637da | mp-3380 | Delete all atoms within 3.845 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La2Rh3C4
_chemical_formula_sum "La2 Rh3 C4"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | 53dd9734-fece-41a0-b388-84d5bfff602b | mp-570405 | Delete all atoms within 3.123 angstrom around the atom at index 57 in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti3Hg24P16Cl27
_chemical_formula_sum "Ti3 Hg24 P16 Cl27"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
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