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 | d45bfec4-30fd-4744-b38a-c8fc682a8ce5 | mp-1098369 | Delete all atoms within 3.901 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg18TiO18
_chemical_formula_sum "Mg18 Ti1 O18"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 | d326d8df-ebed-4c90-b89b-e8e88c6ef5b6 | mp-756331 | Delete all atoms within 3.288 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li2Ti2Co3O6
_chemical_formula_sum "Li2 Ti2 Co3 O6"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.8937... |
DeleteAroundAtomAction | 9b28c310-c6a8-46b5-8705-b78b459fcd68 | mp-1225219 | Delete all atoms within 3.823 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 Al6Au3
_chemical_formula_sum "Al6 Au3"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 | 3c5f062b-d09b-4103-9b17-ea7a4ca3c89a | mp-753611 | Delete all atoms within 2.224 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P3Cl11O4
_chemical_formula_sum "P3 Cl11 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 | bab49555-3ea9-451a-b48d-ee1ecc193f20 | mp-567566 | Delete all atoms within 3.78 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho4FeI11
_chemical_formula_sum "Ho4 Fe1 I11"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... |
DeleteAroundAtomAction | 0733df08-3d0b-4795-8897-51ce4166bce8 | mp-28198 | Delete all atoms within 3.451 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb6In5I23
_chemical_formula_sum "Rb6 In5 I23"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... |
DeleteAroundAtomAction | 98e34d72-c7de-42b3-80a5-d8100ecefb52 | mp-758495 | Delete all atoms within 2.642 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co6C7O25
_chemical_formula_sum "Li8 Co6 C7 O25"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | 4cf8b33a-775f-4701-8a5f-b82ed408fe57 | mp-22703 | Delete all atoms within 2.364 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ni15Ge3B6
_chemical_formula_sum "Ni15 Ge3 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 | 1b8a0469-ecb3-43ab-871a-f8940eec6fe2 | mp-27413 | Delete all atoms within 2.948 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo3P4
_chemical_formula_sum "Mo3 P4"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 524c2438-3911-49d0-a31c-bc31c279e94b | mp-11639 | Delete all atoms within 2.361 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4GeS2
_chemical_formula_sum "Rb4 Ge1 S2"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_gr... |
DeleteAroundAtomAction | 68ef03c6-f042-4a33-801a-34bd4a0c974d | mp-1216004 | Delete all atoms within 2.591 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB3Rh7
_chemical_formula_sum "Y1 Th1 B3 Rh7"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 | ea776776-c9f7-46b4-883f-05f03e44be76 | mp-554501 | Delete all atoms within 2.91 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba9Os6Cl2O21
_chemical_formula_sum "Ba9 Os6 Cl2 O21"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 2d8bf03e-14a4-4766-b4fc-694f778d45b9 | mp-675818 | Delete all atoms within 3.592 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li5As2
_chemical_formula_sum "Li5 As2"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.25930390999999
... |
DeleteAroundAtomAction | 8036b04c-1ee5-4d6b-a0c9-8b8e27f3ce0e | mp-25275 | Delete all atoms within 2.795 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn3O2
_chemical_formula_sum "Mn3 O2"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... |
DeleteAroundAtomAction | fd54b99e-61e6-4b6e-bdc7-0b9138da6e6e | mp-561499 | Delete all atoms within 3.956 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy3Cu2SnS7
_chemical_formula_sum "Dy3 Cu2 Sn1 S7"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 9f1f852d-0867-4415-9e33-9ae90b57f713 | mp-554765 | Delete all atoms within 2.349 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSbF11
_chemical_formula_sum "Ba1 Sb1 F11"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_n... |
DeleteAroundAtomAction | 46f1c1f1-1489-40f8-af65-d777538d08ca | mp-6268 | Delete all atoms within 3.74 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K7Ti6P5O31
_chemical_formula_sum "K7 Ti6 P5 O31"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 66a82cc4-975b-4247-be80-7b39274f54ec | mp-19459 | Delete all atoms within 3.66 angstrom around the atom at index 33 in the cif file. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K6Mg3V7O19
_chemical_formula_sum "K6 Mg3 V7 O19"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 582be242-6bc1-43b4-9a70-913d617fb294 | mp-1040196 | Delete all atoms within 2.052 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg30O31
_chemical_formula_sum "K1 Mg30 O31"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 | 13a591ca-9f05-47c4-8b8b-84d331ec13fd | mp-1237028 | Delete all atoms within 3.471 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K3Ga4P4H6
_chemical_formula_sum "K3 Ga4 P4 H6"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | 0144142c-d225-4361-8e6b-7a57db50251e | mp-781617 | Delete all atoms within 2.957 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li5Mn4B5O13
_chemical_formula_sum "Li5 Mn4 B5 O13"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... |
DeleteAroundAtomAction | 03a130be-9bf7-498b-a003-e350ad96bfca | mp-1104546 | Delete all atoms within 3.267 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural CoB2Mo3
_chemical_formula_sum "Co1 B2 Mo3"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H-... |
DeleteAroundAtomAction | 0ec14ca3-de18-408b-a453-3e8938296ad2 | mp-1226141 | Delete all atoms within 2.272 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co11BP2
_chemical_formula_sum "Co11 B1 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_g... |
DeleteAroundAtomAction | 9c31880e-7e47-4a92-9550-27c5bebc20d4 | mp-675418 | Delete all atoms within 3.562 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural BH8N2
_chemical_formula_sum "B1 H8 N2"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_gro... |
DeleteAroundAtomAction | b828f7e8-1ab5-4a3d-b84b-1c0bccb00908 | mp-1095216 | Delete all atoms within 2.604 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural AsO7
_chemical_formula_sum "As1 O7"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.92896081000001
_... |
DeleteAroundAtomAction | 54f2a9a0-b518-4a69-aed3-6ab124ff4473 | mp-567967 | Delete all atoms within 3.962 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li3Ga3I15
_chemical_formula_sum "Li3 Ga3 I15"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 4849ef1a-eeff-4371-bc86-ce5289bd9493 | mp-772952 | Delete all atoms within 3.41 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li7V12Sn4O28
_chemical_formula_sum "Li7 V12 Sn4 O28"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 | 1f2c7f68-1d79-4dac-87f0-73e08011b75e | mp-1196284 | Delete all atoms within 3.184 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U5Al33Ni8
_chemical_formula_sum "U5 Al33 Ni8"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | cac2003c-ea93-4525-9fb4-8f38549bec3c | mp-1041629 | Delete all atoms within 2.536 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg3Co6O15
_chemical_formula_sum "Mg3 Co6 O15"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 | cf62c680-4c4a-4dff-bd98-d6dc182c7e80 | mp-766533 | Delete all atoms within 3.717 angstrom around the atom at index 49 in the cif file. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li6Cr2FeP4C2O17
_chemical_formula_sum "Li6 Cr2 Fe1 P4 C2 O17"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
DeleteAroundAtomAction | 346bd926-bac7-42dd-a762-a2652e0b638b | mp-1214689 | Delete all atoms within 3.505 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 Ce4In20Pt6
_chemical_formula_sum "Ce4 In20 Pt6"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 | 0a3d84ff-62e5-4ef0-8464-5ade0e6eb1bf | mp-764443 | Delete all atoms within 2.136 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li3Mn3Fe2WO15
_chemical_formula_sum "Li3 Mn3 Fe2 W1 O15"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60.... |
DeleteAroundAtomAction | a859cc6c-2f69-45a5-9dcb-8cd13894d2f2 | mp-5794 | Delete all atoms within 2.92 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural ZnGaO4
_chemical_formula_sum "Zn1 Ga1 O4"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.999991470000... |
DeleteAroundAtomAction | a4fd2e7c-e467-4003-ba72-f3cb9abe0a9b | mp-1196179 | Delete all atoms within 3.508 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm13Cr7S30
_chemical_formula_sum "Tm13 Cr7 S30"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 | a7223264-b819-4416-883a-fcfb417d6485 | mp-779351 | Delete all atoms within 2.881 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4P6H4O16
_chemical_formula_sum "Li4 P6 H4 O16"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_group_name... |
DeleteAroundAtomAction | 0ad719e7-a7c6-4ff5-aecc-43fb0b2d33bb | mp-1518110 | Delete all atoms within 2.824 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuO
_chemical_formula_sum "Sr1 Eu1 O1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
DeleteAroundAtomAction | 9e5572ae-7631-4c20-9f94-0d67f4427ad1 | mp-1213985 | Delete all atoms within 2.863 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2AlSi2O4
_chemical_formula_sum "Ca2 Al1 Si2 O4"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_spac... |
DeleteAroundAtomAction | a66845ed-19b7-4d6c-abcd-83c91a7ae446 | mp-1235973 | Delete all atoms within 2.172 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Y4Ag3O11
_chemical_formula_sum "Y4 Ag3 O11"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | a12b76c2-153c-4697-b303-b54f3b73a2f0 | mp-640163 | Delete all atoms within 3.59 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co4W5C2
_chemical_formula_sum "Co4 W5 C2"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... |
DeleteAroundAtomAction | 2e137e06-ade2-417c-a105-eae7f11bc976 | mp-1101169 | Delete all atoms within 2.703 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y5Al2O6
_chemical_formula_sum "Y5 Al2 O6"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_gro... |
DeleteAroundAtomAction | e0c7b81b-b459-4a66-8f11-8a03f3df0e06 | mp-2230416 | Delete all atoms within 2.578 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe5O6
_chemical_formula_sum "Mg1 Fe5 O6"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_space_g... |
DeleteAroundAtomAction | a55f2f59-9b4e-4662-9566-c9040ab839c0 | mp-1096906 | Delete all atoms within 3.455 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr11N28
_chemical_formula_sum "Cr11 N28"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... |
DeleteAroundAtomAction | e4a7b388-eaa6-4899-8364-58cb1f70f19a | mp-11726 | Delete all atoms within 3.056 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si4Ni9
_chemical_formula_sum "La2 Si4 Ni9"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_group_... |
DeleteAroundAtomAction | ae1edee8-242c-43ec-b6a4-39523c8a610f | mp-2222843 | Delete all atoms within 2.236 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KNiI
_chemical_formula_sum "K1 Ni1 I1"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 3fb9a5e8-5fc9-4bff-ab0d-3752c6b5d287 | mp-557340 | Delete all atoms within 3.693 angstrom around the atom at index 48 in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge8Pb12O24
_chemical_formula_sum "Ge8 Pb12 O24"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 48e9bcb8-125b-421f-b22e-141f13cc020b | mp-1181012 | Delete all atoms within 3.177 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_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 Li15Re24S39
_chemical_formula_sum "Li15 Re24 S39"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 279b760d-f595-4e22-ae31-ef7b1858c20a | mp-1026568 | Delete all atoms within 3.916 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg6
_chemical_formula_sum "Mg6"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1"
_space_gro... |
DeleteAroundAtomAction | bdaed43f-3eb7-4ba4-a697-0eddf731c5a7 | mp-1216955 | Delete all atoms within 2.945 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U2Ni3
_chemical_formula_sum "U2 Ni3"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 2975ab38-8e5f-4071-aa5a-46f91985a692 | mp-753310 | Delete all atoms within 3.242 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural LiCrO
_chemical_formula_sum "Li1 Cr1 O1"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.478180120000005
_spac... |
DeleteAroundAtomAction | 79db24ae-609a-47ca-b8f1-2d8e229f3407 | mp-1193845 | Delete all atoms within 3.707 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho2Al6Cu8
_chemical_formula_sum "Ho2 Al6 Cu8"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
DeleteAroundAtomAction | 06489dc4-4e5c-4b54-8902-71a388728fe3 | mp-1176021 | Delete all atoms within 3.988 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li3MnCo2O6
_chemical_formula_sum "Li3 Mn1 Co2 O6"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group_na... |
DeleteAroundAtomAction | 2d9ed5c6-7f4a-48ab-89b5-566da89bf97b | mp-1205633 | Delete all atoms within 3.858 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2Fe
_chemical_formula_sum "Cs2 Fe1"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 61ad2463-ca47-400a-8b65-92558e502f38 | mp-1293179 | Delete all atoms within 3.918 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li4Ni2O6
_chemical_formula_sum "Li4 Ni2 O6"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_space_group... |
DeleteAroundAtomAction | d4f18ec2-923d-4d50-9f5c-4a7b3ce2d202 | mp-1227709 | Delete all atoms within 2.734 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P5Pb4O20
_chemical_formula_sum "Bi2 P5 Pb4 O20"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... |
DeleteAroundAtomAction | 0e981950-7670-47e8-9920-d4196adb9f74 | mp-1520366 | Delete all atoms within 3.28 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2SrNb2Sb2O4
_chemical_formula_sum "Ba2 Sr1 Nb2 Sb2 O4"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430000... |
DeleteAroundAtomAction | 3f462052-0daa-482c-bdb8-fb68b1738fa0 | mp-1199158 | Delete all atoms within 3.59 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm14Sn18
_chemical_formula_sum "Tm14 Sn18"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... |
DeleteAroundAtomAction | f0c24c85-f89f-4375-aebc-8443280e37ca | mp-3380 | Delete all atoms within 3.335 angstrom around the atom at index 3 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 La3Rh2C5
_chemical_formula_sum "La3 Rh2 C5"
_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 | 639397ee-7de4-4a86-bfcf-cb824ba18d76 | mp-704542 | Delete all atoms within 1.672 angstrom around the atom at index 60 in the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C39Br8O39
_chemical_formula_sum "Ge4 W8 C39 Br8 O39"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 76a2ea26-9a79-4a20-877e-7d739d8273b6 | mp-1201283 | Delete all atoms within 3.067 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re2C4N4Cl9O8
_chemical_formula_sum "Re2 C4 N4 Cl9 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_spa... |
DeleteAroundAtomAction | e06d3829-d994-44d8-b6cd-af2bcdfa07d6 | mp-1111088 | Delete all atoms within 2.935 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2F
_chemical_formula_sum "Na2 F1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
DeleteAroundAtomAction | 2efb612e-ed14-4768-9684-e5f2b65a7f4e | mp-779589 | Delete all atoms within 2.453 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na11Sb20O55
_chemical_formula_sum "Na11 Sb20 O55"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 | 4a168b62-89e7-4996-82e8-d679f5ccda5d | mp-1228545 | Delete all atoms within 2.184 angstrom around the atom at index 15 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 Ba2Sr2Y2Cu5O12
_chemical_formula_sum "Ba2 Sr2 Y2 Cu5 O12"
_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... |
DeleteAroundAtomAction | 98b0109f-61a6-4b95-94f6-e61878228798 | mp-760360 | Delete all atoms within 2.289 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf3N3O6
_chemical_formula_sum "Hf3 N3 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 56b859b3-a594-4223-b212-9d3011d6773a | mp-1220828 | Delete all atoms within 3.052 angstrom around the atom at index 72 in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb15Pb11O43F8
_chemical_formula_sum "Nb15 Pb11 O43 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
DeleteAroundAtomAction | a92da7ae-9929-4ac2-83e3-4f6447cf0f65 | mp-1078810 | Delete all atoms within 3.901 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc2Au
_chemical_formula_sum "Sc2 Au1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | b12c111f-30ce-47ce-b09f-678141463de3 | mp-1523308 | Delete all atoms within 3.568 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_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 Ba2Sr2Gd3Sb3O15
_chemical_formula_sum "Ba2 Sr2 Gd3 Sb3 O15"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | fe534e14-cc35-4aa2-b268-438f83504fa1 | mp-1191291 | Delete all atoms within 3.637 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4SBr7N2O3
_chemical_formula_sum "Hg4 S1 Br7 N2 O3"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 389b700d-2c84-41d2-b930-f3ad1930b02b | mp-1101787 | Delete all atoms within 2.385 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si7
_chemical_formula_sum "La2 Si7"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
_s... |
DeleteAroundAtomAction | 64cd3321-c98e-4399-9daa-cf3b8f88bea1 | mp-754097 | Delete all atoms within 3.006 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li5Fe3B2O12
_chemical_formula_sum "Li5 Fe3 B2 O12"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... |
DeleteAroundAtomAction | d907b7bf-fbe4-4d8f-94d7-7eb5db301ee5 | mp-1105260 | Delete all atoms within 3.172 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb5Ge6Rh2
_chemical_formula_sum "Tb5 Ge6 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.633678460000006
_... |
DeleteAroundAtomAction | cd29dad4-8219-4b3d-a0eb-9659225f78f9 | mp-1192752 | Delete all atoms within 3.771 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural LaCl3O6
_chemical_formula_sum "La1 Cl3 O6"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_space_g... |
DeleteAroundAtomAction | d5bffd26-819d-4144-9294-c20de104bd71 | mp-1207428 | Delete all atoms within 3.819 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr
_chemical_formula_sum "Zr1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... |
DeleteAroundAtomAction | 730232be-2f89-44b4-9119-834bbc302a47 | mp-600078 | Delete all atoms within 3.132 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si16O29
_chemical_formula_sum "Si16 O29"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
DeleteAroundAtomAction | df152524-0307-414b-a4d6-b23f16fcc10b | mp-1175936 | Delete all atoms within 3.903 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li6MnCoO6
_chemical_formula_sum "Li6 Mn1 Co1 O6"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.4119588700000... |
DeleteAroundAtomAction | 7ebdddf6-ea0f-453d-b896-1a6fee38cb49 | mp-779298 | Delete all atoms within 3.122 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn6O8F2
_chemical_formula_sum "Mn6 O8 F2"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_group... |
DeleteAroundAtomAction | ad167b57-2280-46b8-b091-6951ed94c517 | mp-1201935 | Delete all atoms within 3.035 angstrom around the atom at index 23 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 K8P6H13O24
_chemical_formula_sum "K8 P6 H13 O24"
_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 | cc4db3b9-0fe9-4c4b-9771-f54b34e09846 | mp-1226365 | Delete all atoms within 3.634 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural CsCu3NiF
_chemical_formula_sum "Cs1 Cu3 Ni1 F1"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028
_s... |
DeleteAroundAtomAction | 0b3239b3-1343-4a2e-b6d2-2108b8dfcffd | mp-2309 | Delete all atoms within 2.81 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm6S11
_chemical_formula_sum "Tm6 S11"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | c64ad718-4476-46e4-bf7e-6612567e053f | mp-2232505 | Delete all atoms within 3.031 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_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 Ba2YFe2O6
_chemical_formula_sum "Ba2 Y1 Fe2 O6"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 509c94c9-b947-434c-bd0d-17875b7e6115 | mp-759828 | Delete all atoms within 2.387 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2VP3H3O19
_chemical_formula_sum "Li2 Mn2 V1 P3 H3 O19"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.927827... |
DeleteAroundAtomAction | 4f294101-144e-4ff4-8f1c-5d1bb00ef5c3 | mp-684003 | Delete all atoms within 3.196 angstrom around the atom at index 51 in the cif file. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_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 Ti16Fe3B15Ru31
_chemical_formula_sum "Ti16 Fe3 B15 Ru31"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | aefe2694-110c-40b2-a708-549a1324f970 | mp-1245147 | Delete all atoms within 2.644 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr14Fe14O45
_chemical_formula_sum "Cr14 Fe14 O45"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... |
DeleteAroundAtomAction | b0ca17e9-fc82-4c11-b01c-260665214434 | mp-532538 | Delete all atoms within 3.248 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb9Nd2Hf2Mo12O44
_chemical_formula_sum "Rb9 Nd2 Hf2 Mo12 O44"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma 4... |
DeleteAroundAtomAction | eb9631d1-ae51-498c-9d57-681d49f90e4b | mp-1044867 | Delete all atoms within 2.396 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi9O23
_chemical_formula_sum "Bi9 O23"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_grou... |
DeleteAroundAtomAction | 4f0de241-9ded-4424-ae7c-a25aa69a28ba | mp-1233685 | Delete all atoms within 2.994 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural Co4P6O24
_chemical_formula_sum "Co4 P6 O24"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_group_n... |
DeleteAroundAtomAction | 35d0b023-1f48-4f36-8d42-d2f6e6411498 | mp-1258846 | Delete all atoms within 2.195 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn3Zn5Si7O27
_chemical_formula_sum "Mn3 Zn5 Si7 O27"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... |
DeleteAroundAtomAction | e6588c6d-7404-4870-a234-f34e4afff4a5 | mp-1225140 | Delete all atoms within 1.6 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H13C6NO12
_chemical_formula_sum "Fe2 H13 C6 N1 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spac... |
DeleteAroundAtomAction | 876c3b92-1759-4d5a-8acd-ad8c2c5c8d7f | mp-1026930 | Delete all atoms within 2.906 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW2SeS4
_chemical_formula_sum "Te2 Mo1 W2 Se1 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_grou... |
DeleteAroundAtomAction | 5b8dc055-4be1-464b-b831-13147251d9bb | mp-756031 | Delete all atoms within 3.203 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li3Co2OF5
_chemical_formula_sum "Li3 Co2 O1 F5"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_space... |
DeleteAroundAtomAction | dbbe2824-9546-4c35-9569-596ab07c0998 | mp-9619 | Delete all atoms within 2.498 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe2P9
_chemical_formula_sum "Th1 Fe2 P9"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_name_... |
DeleteAroundAtomAction | 91d6f1ad-762a-49bd-8080-048beb0b6ca8 | mp-2228606 | Delete all atoms within 2.934 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2Cu2O5
_chemical_formula_sum "Ba2 Cu2 O5"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 | d4014f99-33f2-427d-ab0c-533353291ffc | mp-1223453 | Delete all atoms within 3.947 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 Ga4
_chemical_formula_sum "Ga4"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_number ... |
DeleteAroundAtomAction | 3330ab29-4bdf-48b5-8e41-1ec1c4107441 | mp-624221 | Delete all atoms within 3.457 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge3Rh3
_chemical_formula_sum "Ge3 Rh3"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | b33da03d-f823-4fbe-a905-4d3ddd1cb558 | mp-771174 | Delete all atoms within 2.793 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B6O15
_chemical_formula_sum "Ba8 B6 O15"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 5b6c7a59-ead1-4e1e-93e6-b0288a5cba10 | mp-1214515 | Delete all atoms within 2.495 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba12Tm4Al7O26
_chemical_formula_sum "Ba12 Tm4 Al7 O26"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | af1029b7-9f73-4596-a021-4e888bf86900 | mp-27271 | Delete all atoms within 3.056 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl15Ge10O25
_chemical_formula_sum "Tl15 Ge10 O25"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... |
DeleteAroundAtomAction | ec777ef5-898d-4782-b4bd-4f7632fa395d | mp-1079670 | Delete all atoms within 2.844 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural PbO3
_chemical_formula_sum "Pb1 O3"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.66668405
_space_... |
DeleteAroundAtomAction | 9fcfad62-c275-4636-bed3-d2495fabb7de | mp-753525 | Delete all atoms within 2.091 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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 V2O4F11
_chemical_formula_sum "V2 O4 F11"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_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 | 05ed3cf1-abb1-44f4-ad68-d1b27e17c224 | mp-753610 | Delete all atoms within 3.798 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2CaI3
_chemical_formula_sum "Ba2 Ca1 I3"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | a29b8cca-f463-47d7-b5dc-7650e1ceff92 | mp-30276 | Delete all atoms within 2.747 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga8Cl8
_chemical_formula_sum "Ce20 Ga8 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.78146747000001... |
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