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 | 3a102800-5d43-41f2-80e2-20e8060c67fd | mp-616512 | Delete all atoms within 3.792 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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 Y7Co6
_chemical_formula_sum "Y7 Co6"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... |
DeleteAroundAtomAction | 9bb5d36b-13ea-4bfc-8658-429e4b96d76c | mp-24598 | Delete all atoms within 1.473 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H15O39
_chemical_formula_sum "Ba4 V4 P8 H15 O39"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
DeleteAroundAtomAction | 670c7147-17e1-4e51-bc33-5d997dbe10d5 | mp-566278 | Delete all atoms within 2.456 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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... | data_image0
_chemical_formula_structural W2O11
_chemical_formula_sum "W2 O11"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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 | 12d28e0b-b898-4eda-99cb-b2cede503605 | mp-770874 | Delete all atoms within 2.46 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na9Co4PC8O31
_chemical_formula_sum "Na9 Co4 P1 C8 O31"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
DeleteAroundAtomAction | 9c969693-cf30-45cb-9881-928d973635a3 | mp-2053129 | Delete all atoms within 3.982 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 Er2As2S2
_chemical_formula_sum "Er2 As2 S2"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 | aa00af92-ebb2-470f-99c3-27bf26f254e1 | mp-555420 | Delete all atoms within 3.446 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6Li7Ti20O44
_chemical_formula_sum "Na6 Li7 Ti20 O44"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... |
DeleteAroundAtomAction | 3f8871ae-216e-4460-ae90-cd84ae656b5f | mp-1105068 | Delete all atoms within 2.672 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaFe2O6
_chemical_formula_sum "Ba1 Fe2 O6"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_group... |
DeleteAroundAtomAction | 07cd21fe-e496-43fc-ab85-9db6ad7a738c | mp-18672 | Delete all atoms within 3.097 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu4Se7
_chemical_formula_sum "Cs2 Dy4 Cu4 Se7"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name_H... |
DeleteAroundAtomAction | 4febccc4-e1bf-4918-a86a-e6965e1715e7 | mp-772660 | Delete all atoms within 3.106 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb3Cr2O10
_chemical_formula_sum "Nb3 Cr2 O10"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... |
DeleteAroundAtomAction | bb780717-b6d6-49bd-86b7-d8ac2a77a592 | mp-1031226 | Delete all atoms within 3.291 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg2O4
_chemical_formula_sum "Mg2 O4"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
DeleteAroundAtomAction | eaaf32cf-c645-414d-b576-b3fa5c1ea266 | mp-1212834 | Delete all atoms within 3.261 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Gd3Ni2Pb2
_chemical_formula_sum "Gd3 Ni2 Pb2"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
DeleteAroundAtomAction | c1b32e1b-3741-4fc8-9119-78c16fc6fc06 | mp-1224332 | Delete all atoms within 2.934 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs2Pd12
_chemical_formula_sum "In1 As2 Pd12"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... |
DeleteAroundAtomAction | ec8527ae-f32b-4843-a5cc-97f2589c7a48 | mp-1026902 | Delete all atoms within 3.071 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg9B
_chemical_formula_sum "Mg9 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt "P 1"... |
DeleteAroundAtomAction | e5b18b4d-90ee-453a-865f-661a0af83aa2 | mp-1228475 | Delete all atoms within 3.705 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba9MnCo5O19
_chemical_formula_sum "Ba9 Mn1 Co5 O19"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 87f2b71f-17a8-403f-83ef-9143e71de5ac | mp-1195795 | Delete all atoms within 3.867 angstrom around the atom at index 26 in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La3Y9S17
_chemical_formula_sum "La3 Y9 S17"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_gro... |
DeleteAroundAtomAction | 32f86e82-78be-4d5f-a739-069f82ec3804 | mp-2219699 | Delete all atoms within 3.911 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural KRe2
_chemical_formula_sum "K1 Re2"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_group_name_H-M... |
DeleteAroundAtomAction | 1807baa3-05c3-40b9-b194-f06ccc8df108 | mp-667336 | Delete all atoms within 3.842 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr11Te56
_chemical_formula_sum "Cs16 Zr11 Te56"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
DeleteAroundAtomAction | bb35a8a0-e403-461b-8f04-1d86c3167f6c | mp-1209541 | Delete all atoms within 1.833 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se2N3O11
_chemical_formula_sum "Se2 N3 O11"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... |
DeleteAroundAtomAction | a6d2dec5-8ed9-4f06-8814-8816c26dcf02 | mp-1217947 | Delete all atoms within 3.083 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag7O16
_chemical_formula_sum "Ta4 Nb4 Ag7 O16"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | 22616a68-b88e-460d-a5f0-e8637257a0c5 | mp-675510 | Delete all atoms within 3.961 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... | data_image0
_chemical_formula_structural As4Pd4
_chemical_formula_sum "As4 Pd4"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999976
_spa... |
DeleteAroundAtomAction | b01d1ba3-667f-4773-96d5-730fb6094c9d | mp-1035887 | Delete all atoms within 3.762 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 Mg9O7
_chemical_formula_sum "Mg9 O7"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 | e5a3fe73-3469-4cfe-a351-dd9e6a84b0ff | mp-510 | Delete all atoms within 2.511 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta13O31
_chemical_formula_sum "Ta13 O31"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... |
DeleteAroundAtomAction | dd4924e8-0a38-4631-8721-24c1673421e6 | mp-754770 | Delete all atoms within 3.942 angstrom around the atom at index 17 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural LiMn2F5
_chemical_formula_sum "Li1 Mn2 F5"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | fbce9ad4-49c8-42df-a66a-7f2733ca1656 | mp-1201159 | Delete all atoms within 3.562 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na4MnH4Se2O14
_chemical_formula_sum "Na4 Mn1 H4 Se2 O14"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M_... |
DeleteAroundAtomAction | 25d2df7c-c629-4442-8a23-5a65168b6c8e | mp-753610 | Delete all atoms within 3.84 angstrom around the atom at index 4 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 BaCaI7
_chemical_formula_sum "Ba1 Ca1 I7"
_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 | 93a3e1be-62b5-45ba-8e41-1525ed9a91e5 | mp-753686 | Delete all atoms within 3.066 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4VCr2P4O12F2
_chemical_formula_sum "Li4 V1 Cr2 P4 O12 F2"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098
... |
DeleteAroundAtomAction | a0aadc2e-229c-44a7-a276-9491cfe84d74 | mp-695175 | Delete all atoms within 2.556 angstrom around the atom at index 41 in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd2Ti18O59
_chemical_formula_sum "Na3 Sr14 Nd2 Ti18 O59"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... |
DeleteAroundAtomAction | 3f6ac2b2-f059-49d1-82c7-3215d7f25f10 | mp-1442904 | Delete all atoms within 1.989 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2CuF9
_chemical_formula_sum "Ca2 Cu1 F9"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-M_a... |
DeleteAroundAtomAction | 3b13db39-2416-4574-af56-d73f6c16c862 | mp-1072993 | Delete all atoms within 3.827 angstrom around the atom at index 18 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg5Si8
_chemical_formula_sum "Mg5 Si8"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.39230718000001
... |
DeleteAroundAtomAction | b068adf1-ca88-40ab-8707-1cde4c789ba6 | mp-531661 | Delete all atoms within 3.328 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti11O33
_chemical_formula_sum "Nd10 Ti11 O33"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
DeleteAroundAtomAction | cff4073f-f5b8-4dd9-8bc4-0221820c1890 | mp-1209763 | Delete all atoms within 3.932 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 Rb5Eu4F11
_chemical_formula_sum "Rb5 Eu4 F11"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 | 945e8620-55ba-46e3-a179-367c06f27887 | mp-618177 | Delete all atoms within 3.914 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K7Zn3Cl9
_chemical_formula_sum "K7 Zn3 Cl9"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 | 57f473d5-d360-4179-9190-ea91059ead9f | mp-1217947 | Delete all atoms within 2.205 angstrom around the atom at index 37 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta3Nb3Ag8O23
_chemical_formula_sum "Ta3 Nb3 Ag8 O23"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | d76863ed-007f-4aa8-b470-a36e4805dffa | mp-1033433 | Delete all atoms within 3.174 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_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 SrMg3O5
_chemical_formula_sum "Sr1 Mg3 O5"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_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 | 2d781be6-a376-4cac-838e-18c84bd0419b | mp-1193262 | Delete all atoms within 2.858 angstrom around the atom at index 16 in the cif file. | data_image0
_chemical_formula_structural Ce2Fe18Si8
_chemical_formula_sum "Ce2 Fe18 Si8"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Ce2Fe11Si4
_chemical_formula_sum "Ce2 Fe11 Si4"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... |
DeleteAroundAtomAction | 107a8482-e474-4b7c-b66c-0e1196a5e94b | mp-1200661 | Delete all atoms within 3.083 angstrom around the atom at index 49 in the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In32
_chemical_formula_sum "K4 Na12 In32"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... |
DeleteAroundAtomAction | 87bd3cd9-795c-4668-bbaf-f316d92c04b5 | mp-23702 | Delete all atoms within 1.177 angstrom around the atom at index 5 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 Li4H7N3
_chemical_formula_sum "Li4 H7 N3"
_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... |
DeleteAroundAtomAction | 7e3458bc-97db-4594-a778-80d9e30eaf69 | mp-1026931 | Delete all atoms within 2.835 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe4S2
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... | data_image0
_chemical_formula_structural Te2Mo2WSe3S2
_chemical_formula_sum "Te2 Mo2 W1 Se3 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... |
DeleteAroundAtomAction | 410f47cd-647f-43b9-a256-cc74c8d199df | mp-2230054 | Delete all atoms within 3.159 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural Cu3OF5
_chemical_formula_sum "Cu3 O1 F5"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_space_grou... |
DeleteAroundAtomAction | d88832d2-ad25-4594-8029-2f0f8a8ee65d | mp-850249 | Delete all atoms within 2.786 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe4S6
_chemical_formula_sum "Fe4 S6"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group_n... |
DeleteAroundAtomAction | e198ac83-93f3-489f-96a1-d7e7f5be33fa | mp-1223914 | Delete all atoms within 3.078 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Ho4ZrAl15
_chemical_formula_sum "Ho4 Zr1 Al15"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 Ho2ZrAl11
_chemical_formula_sum "Ho2 Zr1 Al11"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 | 3c189bd0-1af6-4296-937a-ed278b5d2660 | mp-2231066 | Delete all atoms within 2.52 angstrom around the atom at index 14 in the cif file. | data_image0
_chemical_formula_structural K8MgTi2O8
_chemical_formula_sum "K8 Mg1 Ti2 O8"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_g... | data_image0
_chemical_formula_structural K8MgTiO7
_chemical_formula_sum "K8 Mg1 Ti1 O7"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_gr... |
DeleteAroundAtomAction | 30012177-4843-4bff-a8fe-e817d2496e7b | mp-42981 | Delete all atoms within 2.612 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_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 Na4Gd3Ti4Nb4O20F2
_chemical_formula_sum "Na4 Gd3 Ti4 Nb4 O20 F2"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 12f6248d-8eba-43a1-a6e7-761b1b1bcefa | mp-540876 | Delete all atoms within 2.36 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P5O23
_chemical_formula_sum "K2 Th4 P5 O23"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... |
DeleteAroundAtomAction | cda71cec-a19b-417b-bb89-485892f72937 | mp-676305 | Delete all atoms within 3.779 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb4O18
_chemical_formula_sum "Mg8 Sb4 O18"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_gro... | data_image0
_chemical_formula_structural Mg5Sb2O8
_chemical_formula_sum "Mg5 Sb2 O8"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_group... |
DeleteAroundAtomAction | 55790d65-7b2c-4690-8ee8-df5c2b7f81ff | mp-695020 | Delete all atoms within 2.902 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... | data_image0
_chemical_formula_structural Na7Ga6Si6N2O25
_chemical_formula_sum "Na7 Ga6 Si6 N2 O25"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... |
DeleteAroundAtomAction | 2e725e3f-f9f4-4314-b1af-d12643c70ed1 | mp-2215902 | Delete all atoms within 2.742 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural CuRhO7
_chemical_formula_sum "Cu1 Rh1 O7"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_space_group_... |
DeleteAroundAtomAction | 9d4a766d-27ca-4fa8-8f5b-013a50f4508c | mp-760927 | Delete all atoms within 2.421 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na3Ti3P3O19
_chemical_formula_sum "Na3 Ti3 P3 O19"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 | 1d01c479-267a-4b1b-af31-1706b1ec34d5 | mp-563048 | Delete all atoms within 1.111 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural KFe3H6S2O14
_chemical_formula_sum "K1 Fe3 H6 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... | data_image0
_chemical_formula_structural KFe3H4S2O14
_chemical_formula_sum "K1 Fe3 H4 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... |
DeleteAroundAtomAction | 6a788d9b-f0cf-497d-bc5d-f4b714ec9916 | mp-1208067 | Delete all atoms within 3.832 angstrom around the atom at index 23 in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm7Cd4Pd3
_chemical_formula_sum "Tm7 Cd4 Pd3"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_name_... |
DeleteAroundAtomAction | 3e38c552-9658-4bb3-a78f-1aaf42fb6715 | mp-1020707 | Delete all atoms within 2.756 angstrom around the atom at index 34 in the cif file. | data_image0
_chemical_formula_structural Rb8Ge4B16O36
_chemical_formula_sum "Rb8 Ge4 B16 O36"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb8Ge3B15O33
_chemical_formula_sum "Rb8 Ge3 B15 O33"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | 9f13352c-5cc1-4752-8a87-fc735cb95b3c | mp-771389 | Delete all atoms within 2.289 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li7V10Bi4O31
_chemical_formula_sum "Li7 V10 Bi4 O31"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... |
DeleteAroundAtomAction | 94972753-9bad-42f8-a8bb-4b9e43ce38ab | mp-1245147 | Delete all atoms within 2.763 angstrom around the atom at index 59 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 Cr14Fe15O46
_chemical_formula_sum "Cr14 Fe15 O46"
_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 | d2c2484e-5221-442c-84f9-8b4ab9e15aec | mp-1219581 | Delete all atoms within 3.739 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Al2F12
_chemical_formula_sum "Rb2 Mg2 Al2 F12"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.148508... | data_image0
_chemical_formula_structural RbMg2Al2
_chemical_formula_sum "Rb1 Mg2 Al2"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.14850864
_spa... |
DeleteAroundAtomAction | d07b8bf7-d51d-474e-aaf2-16732d367617 | mp-776732 | Delete all atoms within 2.365 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li2Fe3F8
_chemical_formula_sum "Li2 Fe3 F8"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_... | data_image0
_chemical_formula_structural LiFe3F5
_chemical_formula_sum "Li1 Fe3 F5"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_s... |
DeleteAroundAtomAction | b39634e8-71b0-4c48-82f5-93e48bf20fb4 | mp-779526 | Delete all atoms within 3.398 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe7O9F5
_chemical_formula_sum "Fe7 O9 F5"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_space_... |
DeleteAroundAtomAction | db9b86f5-aab8-40a1-aa6a-4ec02ea4c35c | mp-776832 | Delete all atoms within 1.568 angstrom around the atom at index 52 in the cif file. | data_image0
_chemical_formula_structural Mn7SbP12O48
_chemical_formula_sum "Mn7 Sb1 P12 O48"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... | data_image0
_chemical_formula_structural Mn7SbP11O47
_chemical_formula_sum "Mn7 Sb1 P11 O47"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... |
DeleteAroundAtomAction | c321a76f-71cb-4c87-a59d-467e44816dbb | mp-542493 | Delete all atoms within 3.212 angstrom around the atom at index 19 in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc7Co6Si18
_chemical_formula_sum "Sc7 Co6 Si18"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_space... |
DeleteAroundAtomAction | 69c638df-3427-4f8d-bb65-8513e45f381b | mp-1811207 | Delete all atoms within 3.196 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Ca2Ti4S8
_chemical_formula_sum "Ca2 Ti4 S8"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space... | data_image0
_chemical_formula_structural Ti2S7
_chemical_formula_sum "Ti2 S7"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space_group_... |
DeleteAroundAtomAction | 509821be-963d-4b61-aa6e-b0dc69fe6f8d | mp-1045681 | Delete all atoms within 3.736 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg7Sb8As15Se6O50
_chemical_formula_sum "Mg7 Sb8 As15 Se6 O50"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
DeleteAroundAtomAction | 26539e3d-073e-48be-9f02-fda05e32d813 | mp-2321 | Delete all atoms within 3.69 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb5Ge2
_chemical_formula_sum "Tb5 Ge2"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e59e2d23-8c2a-4af4-ae77-9d1483376820 | mp-1105652 | Delete all atoms within 3.685 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural YbCo4P12
_chemical_formula_sum "Yb1 Co4 P12"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural Co3P6
_chemical_formula_sum "Co3 P6"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name... |
DeleteAroundAtomAction | 056b3486-e98e-43b7-8ccd-478bbb591561 | mp-570598 | Delete all atoms within 3.67 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Sr2Si14N20
_chemical_formula_sum "Sr2 Si14 N20"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSi8N10
_chemical_formula_sum "Sr1 Si8 N10"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 4d047ddf-ffaf-42f4-a5ce-ca81008e320a | mp-1238897 | Delete all atoms within 2.661 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti3Cr2Ag4S15
_chemical_formula_sum "Ti3 Cr2 Ag4 S15"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
DeleteAroundAtomAction | 1112377f-9f9c-4287-bfe7-967ddb6cd01a | mp-541694 | Delete all atoms within 3.666 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural K8Na12Si4P12
_chemical_formula_sum "K8 Na12 Si4 P12"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_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 K6Na10Si3P11
_chemical_formula_sum "K6 Na10 Si3 P11"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | dec1fb9c-1c88-4bfe-8cca-88bbacdd1196 | mp-2229552 | Delete all atoms within 3.813 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural MgTi4Zn2O10
_chemical_formula_sum "Mg1 Ti4 Zn2 O10"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ti2ZnO4
_chemical_formula_sum "Ti2 Zn1 O4"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt "P 1"
_s... |
DeleteAroundAtomAction | a0ff03f9-d2f5-43bd-828a-c9c6bdce8023 | mp-755668 | Delete all atoms within 3.28 angstrom around the atom at index 22 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn4O16
_chemical_formula_sum "Li8 Ti4 Mn4 O16"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_spa... | data_image0
_chemical_formula_structural Li5Ti3Mn2O7
_chemical_formula_sum "Li5 Ti3 Mn2 O7"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_space... |
DeleteAroundAtomAction | 8f47a4ad-4dfa-4715-8077-30f1a01ae556 | mp-1233972 | Delete all atoms within 3.837 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural KFe3P3O10F6
_chemical_formula_sum "K1 Fe3 P3 O10 F6"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902442240000... |
DeleteAroundAtomAction | 59f810d1-bd0b-4a50-9e16-c77308a5d6b1 | mp-1213157 | Delete all atoms within 2.21 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsWO7
_chemical_formula_sum "Cs1 W1 O7"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 2e912f24-f9b8-4bca-bfff-814b5d53eb5e | mp-771567 | Delete all atoms within 3.231 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural LiTi3MnCrP6O24
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Ti2MnCrP6O18
_chemical_formula_sum "Ti2 Mn1 Cr1 P6 O18"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.922840... |
DeleteAroundAtomAction | 350a3d83-8cf5-4355-bd2c-8f29d78232fc | mp-1017129 | Delete all atoms within 3.26 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg6Bi2Sb2
_chemical_formula_sum "Mg6 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 | 163b683d-bd97-4918-8595-c1f3a0d3ac70 | mp-551214 | Delete all atoms within 2.665 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2S3O2
_chemical_formula_sum "Ce2 S3 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999
_spac... |
DeleteAroundAtomAction | f3df55a3-3eef-4966-96df-6cd2865c1a63 | mp-765641 | Delete all atoms within 2.813 angstrom around the atom at index 50 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li7Fe7P7O28
_chemical_formula_sum "Li7 Fe7 P7 O28"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 3bc87199-9b6d-4b2e-a993-6daf3274e29b | mp-1045890 | Delete all atoms within 3.944 angstrom around the atom at index 13 in the cif file. | data_image0
_chemical_formula_structural Zn2Co9O13
_chemical_formula_sum "Zn2 Co9 O13"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_sp... | data_image0
_chemical_formula_structural ZnCo5O8
_chemical_formula_sum "Zn1 Co5 O8"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_space... |
DeleteAroundAtomAction | 5af7dd08-9a81-4095-abe9-807f75445e7d | mp-866871 | Delete all atoms within 3.122 angstrom around the atom at index 12 in the cif file. | data_image0
_chemical_formula_structural Ca8Sn2S12
_chemical_formula_sum "Ca8 Sn2 S12"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H... | data_image0
_chemical_formula_structural Ca4SnS11
_chemical_formula_sum "Ca4 Sn1 S11"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H-... |
DeleteAroundAtomAction | db5f1df9-21c6-4a07-b308-be5618674353 | mp-754722 | Delete all atoms within 2.589 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3MnO8
_chemical_formula_sum "Li4 Ti3 Mn1 O8"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... | data_image0
_chemical_formula_structural Li4Ti2MnO2
_chemical_formula_sum "Li4 Ti2 Mn1 O2"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... |
DeleteAroundAtomAction | 61b35d61-9f18-4f79-a0c2-7e4814d84f0c | mp-1520316 | Delete all atoms within 3.273 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural KGdNb4O12
_chemical_formula_sum "K1 Gd1 Nb4 O12"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural GdNb4O4
_chemical_formula_sum "Gd1 Nb4 O4"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt "P 1"
... |
DeleteAroundAtomAction | 58158e6c-2ad8-4c79-afdf-563950828619 | mp-1042875 | Delete all atoms within 2.004 angstrom around the atom at index 11 in the cif file. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As7O24
_chemical_formula_sum "Mn4 As7 O24"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
DeleteAroundAtomAction | 68e33df2-18fe-4313-82dc-811b0bbca35e | mp-1102196 | Delete all atoms within 3.835 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Er4Ga4Ir4
_chemical_formula_sum "Er4 Ga4 Ir4"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 Ga2Ir
_chemical_formula_sum "Ga2 Ir1"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 | 205d4578-cea0-4e4d-9888-97f69f3c7938 | mp-1207656 | Delete all atoms within 3.984 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y2Pt3F16
_chemical_formula_sum "Y2 Pt3 F16"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 44053efa-2c18-4a77-b422-8ca8e66218cb | mp-28748 | Delete all atoms within 3.421 angstrom around the atom at index 1 in the cif file. | data_image0
_chemical_formula_structural Y6Ir2I6
_chemical_formula_sum "Y6 Ir2 I6"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y5I4
_chemical_formula_sum "Y5 I4"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
DeleteAroundAtomAction | 477c7cd9-ed2c-4a40-8735-7d96060f5b6f | mp-1226677 | Delete all atoms within 2.908 angstrom around the atom at index 2 in the cif file. | data_image0
_chemical_formula_structural CeHo4S7
_chemical_formula_sum "Ce1 Ho4 S7"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... | data_image0
_chemical_formula_structural CeHo3S3
_chemical_formula_sum "Ce1 Ho3 S3"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... |
DeleteAroundAtomAction | 6ab13e7a-2dd9-4dc2-9e51-fa9e5d3b85ef | mp-768873 | Delete all atoms within 2.524 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y7Ge4O14
_chemical_formula_sum "Y7 Ge4 O14"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | bb8b2ab9-ecc1-4896-b577-c53c3e22bf0f | mp-1205559 | Delete all atoms within 3.993 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural InBr
_chemical_formula_sum "In1 Br1"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "P 1"
_spa... |
DeleteAroundAtomAction | d6888ee8-7f3e-4af0-bc81-cf8f585beea6 | mp-1201107 | Delete all atoms within 2.322 angstrom around the atom at index 28 in the cif file. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H48O14
_chemical_formula_sum "Zn2 B20 H48 O14"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... |
DeleteAroundAtomAction | aadc6e79-153e-468f-b718-0dd1b8b50ecc | mp-1228192 | Delete all atoms within 2.821 angstrom around the atom at index 10 in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al5Si3Mo3
_chemical_formula_sum "Al5 Si3 Mo3"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... |
DeleteAroundAtomAction | 48c1f960-1715-49e4-87d4-9c71d800e605 | mp-770527 | Delete all atoms within 2.231 angstrom around the atom at index 29 in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li3Mn5O17
_chemical_formula_sum "Li3 Mn5 O17"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... |
DeleteAroundAtomAction | 43249cb5-405e-44c9-895e-f2523c4a0e41 | mp-1080028 | Delete all atoms within 3.502 angstrom around the atom at index 3 in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2Zr
_chemical_formula_sum "Sr2 Zr1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_space_group_... |
DeleteAroundAtomAction | a2c0e95a-d05d-4a51-a7b1-0dc3816c70ac | mp-1048821 | Delete all atoms within 3.312 angstrom around the atom at index 38 in the cif file. | data_image0
_chemical_formula_structural Al4Fe12O24
_chemical_formula_sum "Al4 Fe12 O24"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al3Fe9O14
_chemical_formula_sum "Al3 Fe9 O14"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_alt ... |
DeleteAroundAtomAction | e7bf0239-d5a6-40cc-a29c-8bce8272b7c8 | mp-559790 | Delete all atoms within 2.531 angstrom around the atom at index 25 in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb4Cl14O9
_chemical_formula_sum "K4 Nb4 Cl14 O9"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_space... |
DeleteAroundAtomAction | ca339fd9-d52d-4d58-a1cf-a89d0ffc7938 | mp-680113 | Delete all atoms within 3.123 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd10I20
_chemical_formula_sum "Cd10 I20"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... |
DeleteAroundAtomAction | 9acb822f-83aa-4c09-a814-826a33b2d77d | mp-759788 | Delete all atoms within 3.622 angstrom around the atom at index 0 in the cif file. | data_image0
_chemical_formula_structural Li4V2O6F2
_chemical_formula_sum "Li4 V2 O6 F2"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_grou... | data_image0
_chemical_formula_structural LiO
_chemical_formula_sum "Li1 O1"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_group_name_H-M_a... |
DeleteAroundAtomAction | d0fefaff-aaea-417e-9a39-a7892f589418 | mp-1218107 | Delete all atoms within 2.073 angstrom around the atom at index 6 in the cif file. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2RuO6
_chemical_formula_sum "Sr2 Pr2 Co2 Ru1 O6"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
DeleteAroundAtomAction | 8d128d77-6eb4-4a6e-8c4d-9efc7eeba175 | mp-1202046 | Delete all atoms within 2.6 angstrom around the atom at index 8 in the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P3I4O12
_chemical_formula_sum "Sr8 P3 I4 O12"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
DeleteAroundAtomAction | 2c62f383-919c-41ec-9ed8-42b60488f25f | mp-770417 | Delete all atoms within 2.1 angstrom around the atom at index 7 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi2P6O22
_chemical_formula_sum "Li4 Mn2 V1 Ni2 P6 O22"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
DeleteAroundAtomAction | 5bf5c539-1e63-404b-9f6a-261172736984 | mp-19420 | Delete all atoms within 3.732 angstrom around the atom at index 5 in the cif file. | data_image0
_chemical_formula_structural Sr2MgWO6
_chemical_formula_sum "Sr2 Mg1 W1 O6"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761699999... | data_image0
_chemical_formula_structural O
_chemical_formula_sum "O1"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.33527616999999
_space_group_na... |
DeleteAroundAtomAction | c5ab9152-38d7-404d-84fd-dfac7b40f8ba | mp-570466 | Delete all atoms within 3.999 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li3
_chemical_formula_sum "Li3"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_alt "... |
DeleteAroundAtomAction | f4c0bb9e-87c9-499d-a9be-559a8f500c99 | mp-1221954 | Delete all atoms within 2.077 angstrom around the atom at index 9 in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural TiZnO5
_chemical_formula_sum "Ti1 Zn1 O5"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.987877039999... |
DeleteAroundAtomAction | 487c3d4f-f546-4ca6-aa64-84e4ca311f93 | mp-1229180 | Delete all atoms within 3.955 angstrom around the atom at index 15 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag4Sb3As2S11
_chemical_formula_sum "Ag4 Sb3 As2 S11"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
DeleteAroundAtomAction | 823a76a2-2192-44fa-838c-191485d17e70 | mp-1232387 | Delete all atoms within 3.971 angstrom around the atom at index 4 in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y4Mg3S10
_chemical_formula_sum "Y4 Mg3 S10"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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... |
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