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 | b84d796a-d321-4f01-a3be-decad32e3a63 | mp-768066 | Delete all atoms within 2.93 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn8Fe8O31
_chemical_formula_sum "Li7 Mn8 Fe8 O31"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 68a96566-70a8-4676-97e5-57269dacbc98 | mp-1227514 | Delete all atoms within 2.061 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga3GeO13
_chemical_formula_sum "Ca4 Ga3 Ge1 O13"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | b92b4d2c-df21-48b8-9545-b1736d6a0319 | mp-1195695 | Delete all atoms within 2.841 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H18C5I2NO4F4
_chemical_formula_sum "H18 C5 I2 N1 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 107... |
DeleteAroundAtomAction | 0f92edd8-8451-44c8-87ad-cfe98e2b59ca | mp-1217523 | Delete all atoms within 3.367 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn2
_chemical_formula_sum "Tb1 In2"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_group_name_... |
DeleteAroundAtomAction | f98cffaa-b1b6-4e66-a019-eb2a803f7864 | mp-22106 | Delete all atoms within 2.646 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd3Ni4O6
_chemical_formula_sum "Nd3 Ni4 O6"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 | 29454457-6db2-46c4-82cf-d9414bea8771 | mp-755550 | Delete all atoms within 2.194 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4CrFe2O2
_chemical_formula_sum "Li4 Cr1 Fe2 O2"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_gr... |
DeleteAroundAtomAction | 8d748221-0362-49d8-ab73-d7f0b84ded90 | mp-1198511 | Delete all atoms within 3.504 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 Tb3Co6Ge16
_chemical_formula_sum "Tb3 Co6 Ge16"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 | 845de7a5-914b-403c-9941-787288c27ea4 | mp-721707 | Delete all atoms within 3.96 angstrom around the atom at index 54 in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H16C9N10O8
_chemical_formula_sum "H16 C9 N10 O8"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741
_s... |
DeleteAroundAtomAction | 4d71709e-36da-443e-94e5-4bf89a166cd0 | mp-690490 | Delete all atoms within 3.674 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti3VO10
_chemical_formula_sum "Ti3 V1 O10"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | 0476d209-aa61-466a-a834-d20e13f61687 | mp-753615 | Delete all atoms within 3.442 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 6e601202-3ae1-47df-8016-ef06960e0cfb | mp-759690 | Delete all atoms within 3.448 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural MnH9N3F6
_chemical_formula_sum "Mn1 H9 N3 F6"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | dbb342c6-a56a-41bb-b97c-a8c6eaa1dedf | mp-1032333 | Delete all atoms within 3.195 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg3O2
_chemical_formula_sum "Rb1 Mg3 O2"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 | fcfc2505-daeb-4c4a-9f39-366c702631ba | mp-752915 | Delete all atoms within 3.761 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
DeleteAroundAtomAction | c9365240-dc9f-491d-93fb-151a9ba06163 | mp-27013 | Delete all atoms within 2.56 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li17V6P16O54
_chemical_formula_sum "Li17 V6 P16 O54"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
DeleteAroundAtomAction | fd3c6540-a77d-4d52-aa54-0078d37a224c | mp-1212621 | Delete all atoms within 1.712 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C10N3Cl4O3F16
_chemical_formula_sum "H8 C10 N3 Cl4 O3 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
DeleteAroundAtomAction | e4db739d-41c3-4d70-9d8b-3430aa688db7 | mp-556552 | Delete all atoms within 2.846 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V3P8S31
_chemical_formula_sum "K16 V3 P8 S31"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 | 1028bda1-a643-4297-b752-fb9009bbd348 | mp-753988 | Delete all atoms within 3.73 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural O2
_chemical_formula_sum "O2"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 67751b55-1325-4aff-80ca-4de04bdee118 | mp-1196228 | Delete all atoms within 3.962 angstrom around the atom at index 53 in the cif file. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V7Fe5O36
_chemical_formula_sum "V7 Fe5 O36"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 | 6e03da72-76d8-434d-a1a7-f239a4d7ff93 | mp-1192151 | Delete all atoms within 2.521 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn9As7
_chemical_formula_sum "Rb4 Zn9 As7"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_name_... |
DeleteAroundAtomAction | aa268ca1-e786-4b73-a2bd-5b6f4cb90fcb | mp-1520792 | Delete all atoms within 3.546 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural Ti
_chemical_formula_sum "Ti1"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00000000000001
_space_... |
DeleteAroundAtomAction | 9d0ac99f-6f1b-4b3e-90a6-f7a34bcbe534 | mp-1521867 | Delete all atoms within 3.142 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999999986
_space_group_n... |
DeleteAroundAtomAction | 7196023d-2c74-4264-ab98-0f09bed2e360 | mp-23977 | Delete all atoms within 3.304 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S24N3
_chemical_formula_sum "H4 S24 N3"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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 | 3947ec56-2416-465e-a877-8ecd404a952f | mp-1212516 | Delete all atoms within 2.539 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H21C3S4N10O11
_chemical_formula_sum "H21 C3 S4 N10 O11"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... |
DeleteAroundAtomAction | 7c270d50-e225-4b84-b4ad-1b40b6fe8743 | mp-1233561 | Delete all atoms within 3.258 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo3P5O17
_chemical_formula_sum "Mg1 Co3 P5 O17"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... |
DeleteAroundAtomAction | ab0e417d-9e0a-4131-bf24-1f1b0566d1b4 | mp-1371279 | Delete all atoms within 3.916 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn2Sn3O4
_chemical_formula_sum "Zn2 Sn3 O4"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 | 3ea73043-bb4e-4d1d-a2bb-d91e6d3fbd81 | mp-1103256 | Delete all atoms within 2.735 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural FeSb3Se3
_chemical_formula_sum "Fe1 Sb3 Se3"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | 801e4620-85ff-4bbc-866f-1db9146fdc8a | mp-23702 | Delete all atoms within 2.386 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li3H6
_chemical_formula_sum "Li3 H6"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_group_... |
DeleteAroundAtomAction | 26e67894-14ef-4ead-84d9-1dc7998d7f3d | mp-1190979 | Delete all atoms within 3.848 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc5Ir4
_chemical_formula_sum "Sc5 Ir4"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_space_... |
DeleteAroundAtomAction | 8306f5e2-744d-47d2-9aed-ca857177c5c8 | mp-1032565 | Delete all atoms within 2.519 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg3ZnO7
_chemical_formula_sum "Mg3 Zn1 O7"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 | dc6c42ae-f568-4ec1-b73c-b14b4dbf7c39 | mp-761075 | Delete all atoms within 1.975 angstrom around the atom at index 49 in the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P14O43
_chemical_formula_sum "Ni4 P14 O43"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... |
DeleteAroundAtomAction | d3c19868-52e5-4525-bf67-8efc04b0ef86 | mp-34195 | Delete all atoms within 3.434 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural CO3
_chemical_formula_sum "C1 O3"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
DeleteAroundAtomAction | ae31b5cd-ed1d-4307-98dc-9224fc47ec22 | mp-1235319 | Delete all atoms within 2.201 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe3O7
_chemical_formula_sum "Li1 Sc4 Fe3 O7"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_gr... |
DeleteAroundAtomAction | 4a51ada3-acb6-4719-b2d4-adc0711e8f99 | mp-1196015 | Delete all atoms within 3.674 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs7P4Au4S14
_chemical_formula_sum "Cs7 P4 Au4 S14"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | 530fb049-b916-4e4c-8694-b5736711039f | mp-1112637 | Delete all atoms within 2.233 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlF5
_chemical_formula_sum "Cs2 Tl1 F5"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
DeleteAroundAtomAction | 44e700af-3ea2-419a-834d-a62fdfedaebc | mp-1209004 | Delete all atoms within 3.559 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc2Tl2Cu4Se7
_chemical_formula_sum "Sc2 Tl2 Cu4 Se7"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_group... |
DeleteAroundAtomAction | 265b47c2-6f2d-4caf-9fba-1e5bd278be28 | mp-758495 | Delete all atoms within 1.731 angstrom around the atom at index 26 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 Li8Co8C7O27
_chemical_formula_sum "Li8 Co8 C7 O27"
_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 | e8d7464a-58e3-429d-903a-abece4a00da1 | mp-25273 | Delete all atoms within 2.385 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural MoO7
_chemical_formula_sum "Mo1 O7"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 823576d1-8993-497e-8aae-186f47efad02 | mp-779625 | Delete all atoms within 2.717 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn7P12O42
_chemical_formula_sum "Li16 Mn7 P12 O42"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 48439844-6b51-446e-a545-666cdc46b3e3 | mp-1519381 | Delete all atoms within 3.128 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_nam... |
DeleteAroundAtomAction | f3503574-140e-4d3b-a556-5b5ed463f7f5 | mp-1199066 | Delete all atoms within 1.859 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B6O21F4
_chemical_formula_sum "Eu8 B6 O21 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... |
DeleteAroundAtomAction | ed70be52-b756-4ab9-8545-77a82bf777be | mp-1078410 | Delete all atoms within 2.323 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2O5
_chemical_formula_sum "Ba2 O5"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
DeleteAroundAtomAction | 7967faa0-cbdf-4f19-84a9-f28f0628ba5b | mp-1193804 | Delete all atoms within 2.558 angstrom around the atom at index 27 in the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga7Ni7
_chemical_formula_sum "Pr12 Ga7 Ni7"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 | 82cd529a-dc38-4bc1-b448-e1f388e99cbb | mp-760489 | Delete all atoms within 2.481 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural PH10N2O2
_chemical_formula_sum "P1 H10 N2 O2"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 4e28b142-e3fd-443f-8567-a2baab033d0b | mp-25946 | Delete all atoms within 3.799 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb3P7O25
_chemical_formula_sum "Sb3 P7 O25"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | a377df19-0370-41da-bb37-15a2e14dda25 | mp-1027923 | Delete all atoms within 3.843 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg4Zr
_chemical_formula_sum "Sr1 Mg4 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | ce71fe36-cf4a-46bf-b07a-5b4c7c7d576a | mp-759739 | Delete all atoms within 2.306 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V4O2F15
_chemical_formula_sum "V4 O2 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... |
DeleteAroundAtomAction | 2ce58375-bf09-4e78-882e-52ff8b7ada9f | mp-752621 | Delete all atoms within 3.183 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li3FeB7O11
_chemical_formula_sum "Li3 Fe1 B7 O11"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 700840cd-f697-41f2-84dc-a4f636ad06ee | mp-1235953 | Delete all atoms within 3.523 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural KNb2PC2O8
_chemical_formula_sum "K1 Nb2 P1 C2 O8"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma 87.635... |
DeleteAroundAtomAction | cc368172-9b13-4400-b6e0-0e3a16de3916 | mp-1022061 | Delete all atoms within 3.44 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 LaMg6Ni2
_chemical_formula_sum "La1 Mg6 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 | db998117-8af9-4786-b4c8-690b21add223 | mp-572465 | Delete all atoms within 2.481 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr3Cu4P7S23
_chemical_formula_sum "Cr3 Cu4 P7 S23"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 15ca275b-f78a-4d58-8e10-6cb56b515a34 | mp-531527 | Delete all atoms within 3.333 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba2Ti17O28
_chemical_formula_sum "Ba2 Ti17 O28"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... |
DeleteAroundAtomAction | e7d3cae4-ce88-4af2-9064-cbc15f189116 | mp-20268 | Delete all atoms within 3.117 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural GePd2
_chemical_formula_sum "Ge1 Pd2"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
_space_g... |
DeleteAroundAtomAction | 662a1b66-150d-4adf-aa1a-7832b81d80f0 | mp-759863 | Delete all atoms within 2.611 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na3V2
_chemical_formula_sum "Na3 V2"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_name_H-M... |
DeleteAroundAtomAction | b4f85506-793a-4130-a457-d8a32491631d | mp-1212483 | Delete all atoms within 2.629 angstrom around the atom at index 51 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg15P3H4N4O24
_chemical_formula_sum "Hg15 P3 H4 N4 O24"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | bcd9bcec-5c0c-4cf1-91b9-eb6abb24d433 | mp-1209474 | Delete all atoms within 3.663 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm3
_chemical_formula_sum "Sm3"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 354d96a9-6c3a-410a-85ab-025ff47f547f | mp-1204342 | Delete all atoms within 3.367 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca6B9H11Cl4O25
_chemical_formula_sum "Ca6 B9 H11 Cl4 O25"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
DeleteAroundAtomAction | 44a165a8-7530-4404-b2bd-3694d988fba3 | mp-767632 | Delete all atoms within 3.094 angstrom around the atom at index 21 in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V3P3O7
_chemical_formula_sum "V3 P3 O7"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_name... |
DeleteAroundAtomAction | dad1c7f5-47a0-4054-b589-ecb1ded58ba2 | mp-1174010 | Delete all atoms within 2.634 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li4MnCoO8
_chemical_formula_sum "Li4 Mn1 Co1 O8"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.01952393
... |
DeleteAroundAtomAction | 7f244f5e-76ca-4c49-84e3-4b6bd89f8116 | mp-568595 | Delete all atoms within 3.167 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re6Si9
_chemical_formula_sum "Re6 Si9"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_gr... |
DeleteAroundAtomAction | 50e3c752-f38b-4e5b-ab43-d288face4c56 | mp-558681 | Delete all atoms within 1.854 angstrom around the atom at index 24 in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P7Cl8O8F15
_chemical_formula_sum "P7 Cl8 O8 F15"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 4912004f-2931-4599-8882-f5edba5c38c2 | mp-1205760 | Delete all atoms within 3.94 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr
_chemical_formula_sum "Sr1"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_group_n... |
DeleteAroundAtomAction | 72f31c05-50d0-4ed7-9c9d-e99c13c66a5c | mp-1190262 | Delete all atoms within 3.86 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr3Sb2
_chemical_formula_sum "Zr3 Sb2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | df0738c7-5bd1-4e8c-b6ac-c1ce6200601b | mp-1200769 | Delete all atoms within 3.265 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb2Ga20Cu8
_chemical_formula_sum "Yb2 Ga20 Cu8"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_grou... |
DeleteAroundAtomAction | 282d9caa-5810-4257-b08c-8340642696b3 | mp-1211974 | Delete all atoms within 2.266 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural SNO7
_chemical_formula_sum "S1 N1 O7"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_group_n... |
DeleteAroundAtomAction | 255d330f-634d-45a7-8006-23036932ce2a | mp-1037998 | Delete all atoms within 3.381 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg19O26
_chemical_formula_sum "Mg19 O26"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
DeleteAroundAtomAction | 5e39fd30-e114-4fc0-a0c9-f3c1337f7620 | mp-1202419 | Delete all atoms within 2.293 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re3C10N20O25
_chemical_formula_sum "Ca2 Re3 C10 N20 O25"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... |
DeleteAroundAtomAction | 132355fe-034b-4dfd-af21-cf172c209449 | mp-2234075 | Delete all atoms within 2.671 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural O5
_chemical_formula_sum "O5"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
_space_group_name_H-M_al... |
DeleteAroundAtomAction | b160851e-bef2-4021-ae7f-1587e8b307df | mp-776226 | Delete all atoms within 3.518 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf9N12O6
_chemical_formula_sum "Hf9 N12 O6"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_gro... |
DeleteAroundAtomAction | 2f793b65-4cc9-4467-8a6a-53e9b5f863be | mp-2230889 | Delete all atoms within 3.465 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural V2O6
_chemical_formula_sum "V2 O6"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_group_name_H-M... |
DeleteAroundAtomAction | f956a213-6320-419e-9f67-dd10eed88a75 | mp-1175749 | Delete all atoms within 2.961 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li6MnCo3O8
_chemical_formula_sum "Li6 Mn1 Co3 O8"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318
_... |
DeleteAroundAtomAction | a1256558-5750-4c88-802a-a4ab1f407010 | mp-758717 | Delete all atoms within 3.065 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LiCo2C7O21
_chemical_formula_sum "Li1 Co2 C7 O21"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 54b66aec-7f60-4c81-8568-52bf9792a903 | mp-722910 | Delete all atoms within 2.963 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K3B7H7N2O4
_chemical_formula_sum "K3 B7 H7 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | f63e7b79-4e9e-440f-97b3-e0bf1f4466b0 | mp-1113451 | Delete all atoms within 3.996 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural CsScAg
_chemical_formula_sum "Cs1 Sc1 Ag1"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space... |
DeleteAroundAtomAction | 488b56f5-fe5a-42bc-8a65-96d92eb6c0de | mp-12611 | Delete all atoms within 3.955 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca2Ga4
_chemical_formula_sum "Ca2 Ga4"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... |
DeleteAroundAtomAction | 70c76bc4-3343-4ac6-a8c5-5d8e0028e84e | mp-768696 | Delete all atoms within 2.279 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li4Cr3Fe2O15
_chemical_formula_sum "Li4 Cr3 Fe2 O15"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... |
DeleteAroundAtomAction | b9477b31-2af7-4365-969b-b5b5b20b8f71 | mp-985591 | Delete all atoms within 3.433 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li3SBr
_chemical_formula_sum "Li3 S1 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
DeleteAroundAtomAction | 621ccf8b-89a8-4504-a355-5e8ac474e7d6 | mp-766542 | Delete all atoms within 3.002 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li3Fe3Si3O12
_chemical_formula_sum "Li3 Fe3 Si3 O12"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 | b156dec4-f568-45e9-8c9a-e1adc3658e40 | mp-780315 | Delete all atoms within 2.633 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural LiFe3O8
_chemical_formula_sum "Li1 Fe3 O8"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space_group_nam... |
DeleteAroundAtomAction | bc3d27f5-527f-4870-b837-cfb631cd3479 | mp-1245070 | Delete all atoms within 2.302 angstrom around the atom at index 45 in the cif file. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn49S49
_chemical_formula_sum "Zn49 S49"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... |
DeleteAroundAtomAction | a55131d3-63b2-40e3-9952-5323dade7790 | mp-673174 | Delete all atoms within 2.834 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe13N6
_chemical_formula_sum "Fe13 N6"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
DeleteAroundAtomAction | 9a03ee1e-6bee-4c88-94ca-b4c543256a7b | mp-1203548 | Delete all atoms within 3.542 angstrom around the atom at index 36 in the cif file. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd4Se6O16
_chemical_formula_sum "Cd4 Se6 O16"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
DeleteAroundAtomAction | aeaead8a-32a1-4514-841b-728ba3f4c1ca | mp-1247259 | Delete all atoms within 2.961 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca5Rh2N2
_chemical_formula_sum "Ca5 Rh2 N2"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | c5ac07b8-8a4f-479a-bfab-87df803d6a9c | mp-1209956 | Delete all atoms within 3.406 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 Pd4O4
_chemical_formula_sum "Pd4 O4"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 | 81832afb-4b70-4db6-bcf2-4b0df072ed2f | mp-1204445 | Delete all atoms within 3.054 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H3S5O20
_chemical_formula_sum "Th2 H3 S5 O20"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... |
DeleteAroundAtomAction | c9f16d3f-b79a-4e29-99a7-c3f9d6b5c369 | mp-755220 | Delete all atoms within 3.93 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Cr
_chemical_formula_sum "Cr1"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_space_group_name_H-M... |
DeleteAroundAtomAction | d3e63e5d-1a7d-41a8-a558-fc70bc0ebf9b | mp-28295 | Delete all atoms within 3.298 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsO2
_chemical_formula_sum "Cs1 O2"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 230a6457-be67-4bf5-ac84-839ee6f2b57f | mp-1200879 | Delete all atoms within 3.218 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y5Ge20Pt6
_chemical_formula_sum "Y5 Ge20 Pt6"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... |
DeleteAroundAtomAction | 743bfa18-eff3-4fee-954b-2228b2ff08d3 | mp-1026800 | Delete all atoms within 3.128 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg5
_chemical_formula_sum "Mg5"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1"
_space_gro... |
DeleteAroundAtomAction | c21dc2c5-14ae-4686-8aae-bd33d16648e1 | mp-756068 | Delete all atoms within 2.9 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li2V3O3F8
_chemical_formula_sum "Li2 V3 O3 F8"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 | a0b794ae-c692-42f0-8dfb-c8246cad13ed | mp-600154 | Delete all atoms within 1.793 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H14C8O23
_chemical_formula_sum "K4 Cu2 H14 C8 O23"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
DeleteAroundAtomAction | d00e01bb-16d8-4946-8a20-e7033f5153c1 | mp-1022597 | Delete all atoms within 3.661 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 LiMg4Zn2
_chemical_formula_sum "Li1 Mg4 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 | fb14bb07-9ee3-4484-888f-b1211baf2cf1 | mp-1180177 | Delete all atoms within 3.197 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn2N2Cl11
_chemical_formula_sum "Mn2 N2 Cl11"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | a04df8a3-1ebb-483b-bdbf-45697cc12eca | mp-1175386 | Delete all atoms within 2.098 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 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co2O15
_chemical_formula_sum "Li9 Mn2 Co2 O15"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... |
DeleteAroundAtomAction | 53ccb8ad-60c6-4d3a-927a-7b2de2977c3d | mp-18973 | Delete all atoms within 2.796 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co3Se8O14
_chemical_formula_sum "Co3 Se8 O14"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
DeleteAroundAtomAction | 75527878-9028-4fe5-99ba-d27b036e022f | mp-1045114 | Delete all atoms within 3.675 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V4Se2Cl2O9
_chemical_formula_sum "Al2 V4 Se2 Cl2 O9"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_gro... |
DeleteAroundAtomAction | 5318d83a-66dd-4c48-b755-9c204c54e076 | mp-28457 | Delete all atoms within 3.415 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta12O26
_chemical_formula_sum "Ba2 Ta12 O26"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
DeleteAroundAtomAction | a0e0ea07-00b1-4f77-a32a-a77e7e73372e | mp-556103 | Delete all atoms within 2.851 angstrom around the atom at index 31 in the cif file. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga10F47
_chemical_formula_sum "Cs18 Ga10 F47"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 7120dbb7-6eb5-4637-a0e5-476239c6ef22 | mp-560175 | Delete all atoms within 3.528 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na6Th2Mo7O23
_chemical_formula_sum "Na6 Th2 Mo7 O23"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... |
DeleteAroundAtomAction | 5ec2a90e-70aa-4106-9b71-ae3ec82a2617 | mp-756652 | Delete all atoms within 3.682 angstrom around the atom at index 20 in the cif file. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co2P2O7
_chemical_formula_sum "Co2 P2 O7"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_grou... |
DeleteAroundAtomAction | ad6cabd2-ec78-4096-aa2e-db82971215c3 | mp-1046251 | Delete all atoms within 2.297 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn3W2O12
_chemical_formula_sum "Ta4 Zn3 W2 O12"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
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