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 |
|---|---|---|---|---|---|
SwapAtomsAction | 0dc5495c-9895-4ee6-b4b6-83de7329f7f1 | mp-1032565 | Swap the spatial positions of atoms at indices 7 and 3 in the cif file. The indices of atoms are started from 0. | 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 Mg3BiMg2ZnMgO8
_chemical_formula_sum "Mg6 Bi1 Zn1 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... |
SwapAtomsAction | b5d82f4a-00c7-4589-838f-95e0a6eb9d70 | mp-1079659 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural MoTaB4TaMo3
_chemical_formula_sum "Mo4 Ta2 B4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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... |
SwapAtomsAction | c4c9c7ce-6355-4b88-a19b-fab42c261c57 | mp-753901 | Swap the spatial positions of atoms at indices 5 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Er4CuO4CuO4
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H... |
SwapAtomsAction | 2a4c8014-b09b-4739-af2c-9d48c6e73569 | mp-863373 | Swap the spatial positions of atoms at indices 64 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li12Co6OCo5P12O28CoO19
_chemical_formula_sum "Li12 Co12 O48 P12"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SwapAtomsAction | 2e8866c5-b1da-40b2-8ef3-ece6d10e2994 | mp-31691 | Swap the spatial positions of atoms at indices 21 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li2OLiCr4P8O5LiO22
_chemical_formula_sum "Li4 O28 Cr4 P8"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188... |
SwapAtomsAction | 0cb72c83-39af-4707-94c0-91a5672c47a7 | mp-1233765 | Swap the spatial positions of atoms at indices 21 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH13BrH7Br3N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133... |
SwapAtomsAction | ce172e7a-385e-4989-96b3-c3902691d6ba | mp-1104062 | Swap the spatial positions of atoms at indices 6 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga3SeGaSe7
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-... |
SwapAtomsAction | d1d7cd48-ee3f-4b4e-b646-88115c75ed29 | mp-1223078 | Swap the spatial positions of atoms at indices 0 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural PtLa4O7
_chemical_formula_sum "Pt1 La4 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... |
SwapAtomsAction | 104f02aa-c75c-42c7-bfd5-5a5f09c4c5a2 | mp-1079383 | Swap the spatial positions of atoms at indices 7 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce2CuCeIn2CuCeCu2
_chemical_formula_sum "Ce4 Cu4 In2"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 4ab06afd-0f0c-459b-8a78-cbe45c71a0f3 | mp-753944 | Swap the spatial positions of atoms at indices 13 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li8Mn5O9MnOF6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_spac... |
SwapAtomsAction | be7c5d58-9f15-4b1f-b9a7-16d543373e8e | mp-557540 | Swap the spatial positions of atoms at indices 24 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb4SRb3Ag4Sb4S8RbS7
_chemical_formula_sum "Rb8 S16 Ag4 Sb4"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 443f2f26-e15c-4d67-9c05-64a0ae76a865 | mp-1239127 | Swap the spatial positions of atoms at indices 1 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 HfSHf2Cr4Cu4S13HfS2
_chemical_formula_sum "Hf4 S16 Cr4 Cu4"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | de937ea1-0ab1-421d-b73c-d33cb70c5c93 | mp-2215902 | Swap the spatial positions of atoms at indices 13 and 1 in the cif file. The indices of atoms are started from 0. | 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 MgOCuRh4O6CuO
_chemical_formula_sum "Mg1 O8 Cu2 Rh4"
_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
_s... |
SwapAtomsAction | dbadddb6-9c50-4602-a4a7-e2cc467e6804 | mp-21286 | Swap the spatial positions of atoms at indices 1 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MnGeMn2Co4Ge2MnGe
_chemical_formula_sum "Mn4 Ge4 Co4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 465e76a3-fe35-4e3d-99f7-51c8c1e15227 | mp-770748 | Swap the spatial positions of atoms at indices 38 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 OGd11Ta4O22GdO5
_chemical_formula_sum "O28 Gd12 Ta4"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 7e92b419-14d6-4daa-a7eb-a8f2836cc66a | mp-1212973 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3OTiO4TiO2
_chemical_formula_sum "Eu3 O7 Ti2"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.63113356000000... |
SwapAtomsAction | 32ae53b9-6f6c-440f-aad0-e754999993d0 | mp-1181553 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy4TlDy6Tl5
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_grou... |
SwapAtomsAction | 3b3a697e-67b6-44e9-8633-3568f59405f3 | mp-1193684 | Swap the spatial positions of atoms at indices 7 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe6SiOSi2O16SiO
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.266404570000... |
SwapAtomsAction | 8284ce89-78b2-4115-a7ab-2602dad2bc26 | mp-23792 | Swap the spatial positions of atoms at indices 23 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si5OH2O9SiO8
_chemical_formula_sum "Na2 Ca4 Si6 O18 H2"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.4488305299999... |
SwapAtomsAction | b33863db-4f2b-46ae-b93e-7cefa3aea44c | mp-613 | Swap the spatial positions of atoms at indices 8 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te3Pd5TePd
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt ... |
SwapAtomsAction | ff9a4408-bc42-494d-a497-5aa761e19bc6 | mp-1194067 | Swap the spatial positions of atoms at indices 8 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H4OH3S2O3HO8F2
_chemical_formula_sum "Na2 Ni2 H8 O12 S2 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_... |
SwapAtomsAction | 10e9cc6e-d65f-4f24-a8ea-333d21aeaf48 | mp-1228692 | Swap the spatial positions of atoms at indices 58 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr8P11O37PO11
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_spa... |
SwapAtomsAction | f3a905b6-87e4-4126-a08c-5dee46d21db0 | mp-2217543 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgOP2O6Co
_chemical_formula_sum "Mg1 O7 P2 Co1"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_sp... |
SwapAtomsAction | 3f0dbca1-c71b-4950-b804-eec3e1ff3e4a | mp-1204580 | Swap the spatial positions of atoms at indices 3 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2HOH10S2N2O3HO16
_chemical_formula_sum "Nd2 H12 O20 S2 N2"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 31cf2bc3-0707-46a3-8044-28ba5fe42e55 | mp-1041307 | Swap the spatial positions of atoms at indices 0 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural WHoZn2HoW3O12
_chemical_formula_sum "W4 Ho2 Zn2 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 5a9c7667-b4e9-422c-abf2-666dcb2eb898 | mp-758242 | Swap the spatial positions of atoms at indices 19 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W3O8WO16
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100... |
SwapAtomsAction | db57ccdc-d8a3-42ba-a3f6-feb06eeb4375 | mp-1209592 | Swap the spatial positions of atoms at indices 4 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P4OP3OPO22
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 77d12d0f-fa7c-48e8-8bc2-c50afb2ec104 | mp-600520 | Swap the spatial positions of atoms at indices 2 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2OCuH8C8O13CuO2
_chemical_formula_sum "Sr2 O16 Cu2 H8 C8"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 09e64aef-6c00-4411-881f-494e0504f64e | mp-768946 | Swap the spatial positions of atoms at indices 0 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural CrLi7Cr5LiCo2O16
_chemical_formula_sum "Cr6 Li8 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space... |
SwapAtomsAction | 032e348d-9438-465a-a096-6579332f1797 | mp-1233765 | Swap the spatial positions of atoms at indices 32 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH7OH12Br4N4O3H
_chemical_formula_sum "Mg1 H20 O4 Br4 N4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133... |
SwapAtomsAction | 2b539256-ef00-43a7-ae30-2189d1602c35 | mp-1638898 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural Li4OFeP2H2O3FeO6
_chemical_formula_sum "Li4 O10 Fe2 P2 H2"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8... |
SwapAtomsAction | 01dac507-cb6e-418f-bdb8-b4e7def84bf9 | mp-1522800 | Swap the spatial positions of atoms at indices 6 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural CaOHfWO2EuO3
_chemical_formula_sum "Ca1 O6 Hf1 W1 Eu1"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
SwapAtomsAction | 196adc47-84cf-436e-944b-363bb3022fa9 | mp-696283 | Swap the spatial positions of atoms at indices 4 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H4SH3S2HS5N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_grou... |
SwapAtomsAction | 6b8dafe8-9a57-45cc-a69a-a0ed2059a1e2 | mp-2898998 | Swap the spatial positions of atoms at indices 6 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural Ca2MnOMn3O7
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_sp... |
SwapAtomsAction | f4e4ed9e-5bac-4a62-b6cd-86aa2edfd4c8 | mp-1200470 | Swap the spatial positions of atoms at indices 39 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 CaSnCa4Co8Sn25Ca
_chemical_formula_sum "Ca6 Sn26 Co8"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | e7abf1fc-57e2-4084-84b1-37d0af9d1299 | mp-1208510 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFeOFeO4FeO3
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 61816661-f2e4-476a-bfd8-065212f8b86c | mp-1195087 | Swap the spatial positions of atoms at indices 1 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 TlSeTl14Pb4TlSe11
_chemical_formula_sum "Tl16 Se12 Pb4"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 4061a3b8-82c8-4954-883e-0c6b0126ed4f | mp-5861 | Swap the spatial positions of atoms at indices 10 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 FeTm7Fe2TmFe53B4
_chemical_formula_sum "Fe56 Tm8 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 6ae542c2-b154-4b47-a262-c4f1cbdea020 | mp-1199296 | Swap the spatial positions of atoms at indices 12 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd5P7RuP4Ru17PRu
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M... |
SwapAtomsAction | 9a00812b-e8d2-4274-a48a-f59e5c06feb5 | mp-1213886 | Swap the spatial positions of atoms at indices 34 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl2FTl5F18TlF21
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_na... |
SwapAtomsAction | fec96221-18f8-4db6-8549-037b9f8ec664 | mp-1104546 | Swap the spatial positions of atoms at indices 8 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B4MoB2Mo5
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_na... |
SwapAtomsAction | eb82f418-d06b-400a-ba52-bbcfabef6f74 | mp-1644899 | Swap the spatial positions of atoms at indices 7 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6VOV2C8O14VO9
_chemical_formula_sum "Li6 V4 O24 C8"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_gr... |
SwapAtomsAction | 1ed7ccca-b3aa-44ed-a2fe-70f72ee98420 | mp-1247503 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn3NCu2N3Mn
_chemical_formula_sum "Mn4 N4 Cu2"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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... |
SwapAtomsAction | 8ce26edd-0307-4cc9-a104-e4b5582b51d4 | mp-1033104 | Swap the spatial positions of atoms at indices 14 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 Mg3OMg2AlZnO6MgO
_chemical_formula_sum "Mg6 O8 Al1 Zn1"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 0116069f-b1ab-4942-a7e1-145e31fa3fb2 | mp-1019708 | Swap the spatial positions of atoms at indices 30 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li2OLiP8O10LiO17
_chemical_formula_sum "Cs4 Ba4 Li4 O28 P8"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SwapAtomsAction | 0ccd6b9f-4907-4981-8ab5-cb59e1528f37 | mp-780331 | Swap the spatial positions of atoms at indices 5 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural MnLi3MnLiMn2P4O16
_chemical_formula_sum "Mn4 Li4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.9951... |
SwapAtomsAction | 17938149-f319-4d1f-8a74-ec78481d6851 | mp-540267 | Swap the spatial positions of atoms at indices 0 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural OCrP4O8CrO5
_chemical_formula_sum "O14 Cr2 P4"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_grou... |
SwapAtomsAction | da75653c-0b4c-4e7b-a49d-f7f231208fc4 | mp-1147737 | Swap the spatial positions of atoms at indices 1 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural LiSLi2ZnP2S4LiS3
_chemical_formula_sum "Li4 S8 Zn1 P2"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_sp... |
SwapAtomsAction | c288f662-6c7b-473f-89cd-c91b57b2f815 | mp-1193573 | Swap the spatial positions of atoms at indices 13 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni11GeNi6Ge4NiGe3
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.12... |
SwapAtomsAction | 4fddc446-1557-4d5f-8881-d1a91026510a | mp-755181 | Swap the spatial positions of atoms at indices 11 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural VFV2O5F2VF4
_chemical_formula_sum "V4 F7 O5"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_... |
SwapAtomsAction | 733a7f35-bd35-48d5-b3a7-8bc2ac4a95c1 | mp-1103845 | Swap the spatial positions of atoms at indices 5 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural Co2OSOSO8
_chemical_formula_sum "Co2 O10 S2"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... |
SwapAtomsAction | b411e5a6-ae07-4020-bfcf-d7762cf6bc8f | mp-1216936 | Swap the spatial positions of atoms at indices 0 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural SeU3TeUSe6
_chemical_formula_sum "Se7 U4 Te1"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 87dfbf47-5d2c-4455-8c3e-3e00297de3dd | mp-734561 | Swap the spatial positions of atoms at indices 2 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb2ORb3P6H8RbO23
_chemical_formula_sum "Rb6 O24 P6 H8"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_sp... |
SwapAtomsAction | 319590a0-bbbc-4632-b372-7861808409df | mp-1110620 | Swap the spatial positions of atoms at indices 1 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural NaCoTlNaF6
_chemical_formula_sum "Na2 Co1 Tl1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.9999995899999... |
SwapAtomsAction | 15ebcdab-b442-4b52-946b-9e3f6992af22 | mp-695890 | Swap the spatial positions of atoms at indices 47 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 Mg3OMg16Si6H8O13MgO22
_chemical_formula_sum "Mg20 O36 Si6 H8"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | f7e7e7de-fff0-4ee9-9b92-14fb5ec96823 | mp-2228948 | Swap the spatial positions of atoms at indices 4 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2POH2O8PO
_chemical_formula_sum "Mg1 Sb2 P2 O10 H2"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.1170... |
SwapAtomsAction | 23276351-f07c-461e-8451-a9c1d83e6c60 | mp-1045731 | Swap the spatial positions of atoms at indices 84 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As10OAs5Se8O44AsO11
_chemical_formula_sum "Ca8 Sb8 As16 O56 Se8"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle... |
SwapAtomsAction | fac48f0e-aa6b-463f-be99-521af997f2ce | mp-800838 | Swap the spatial positions of atoms at indices 21 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H13OH16O17HO12
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03... |
SwapAtomsAction | 8d3b9123-89f7-43e8-aceb-2b8b998a72af | mp-556061 | Swap the spatial positions of atoms at indices 49 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsFCs2Sb8F37CsF6
_chemical_formula_sum "Cs4 F44 Sb8"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 4b79e0d6-16fd-4239-833d-b4c4f8ad7267 | mp-1042925 | Swap the spatial positions of atoms at indices 37 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca3OV4As8O21CaO6
_chemical_formula_sum "Ca4 O28 V4 As8"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 40b45135-7dd9-4be9-bd8f-b810018c2007 | mp-1207874 | Swap the spatial positions of atoms at indices 6 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural YSiY5Si6Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SwapAtomsAction | 7a21e2ac-c7b7-48f6-aac6-33e707788f68 | mp-17777 | Swap the spatial positions of atoms at indices 0 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural OSr9As6O21SrO2F2
_chemical_formula_sum "O24 Sr10 As6 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_na... |
SwapAtomsAction | 8212239f-54cf-4d0b-9b9a-a5e081a7de96 | mp-697253 | Swap the spatial positions of atoms at indices 1 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural SiNH11C2N5HF6
_chemical_formula_sum "Si1 N6 H12 C2 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_grou... |
SwapAtomsAction | 621618e9-bbfd-4a5f-a727-f6094e6869e4 | mp-16491 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Al9SrCo2
_chemical_formula_sum "Al9 Sr1 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... |
SwapAtomsAction | 150bd3b7-a9bf-4b92-be14-0cf686220c0d | mp-1194512 | Swap the spatial positions of atoms at indices 3 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V3OCu6O12VO5
_chemical_formula_sum "V4 O18 Cu6"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | a309c1d9-3f27-46b1-baec-0ef8a2b25192 | mp-1196678 | Swap the spatial positions of atoms at indices 53 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural InOIn2Ag4P8H8O29InO2
_chemical_formula_sum "In4 O32 Ag4 P8 H8"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_nam... |
SwapAtomsAction | 9e99fba9-aad5-4ec3-a5f6-fd6188657d5f | mp-23963 | Swap the spatial positions of atoms at indices 8 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 H2OHI4HO11
_chemical_formula_sum "H4 O12 I4"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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... |
SwapAtomsAction | 25efeb1e-aa6a-47cd-b49c-10550e3302d1 | mp-1228061 | Swap the spatial positions of atoms at indices 7 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural BrBa3Cu2IBaO4
_chemical_formula_sum "Br1 Ba4 Cu2 I1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 58fdaac0-84b5-426f-ae3b-ebdf1bfa1e95 | mp-1342975 | Swap the spatial positions of atoms at indices 19 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca4Ni6ONiO7NiO8
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022... |
SwapAtomsAction | 432a313f-4900-45aa-adb2-8f808605a370 | mp-1028276 | Swap the spatial positions of atoms at indices 15 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KSnMg14
_chemical_formula_sum "K1 Sn1 Mg14"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 6c9a0201-b4e8-437b-85e4-24405907a5e5 | mp-1238837 | Swap the spatial positions of atoms at indices 3 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B3HB20H22BH
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group... |
SwapAtomsAction | cac64c81-10fd-4120-a3f2-1adc8a16aaf0 | mp-561248 | Swap the spatial positions of atoms at indices 9 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8CuTeCu6Te3CuTe4S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | d9051770-ff0f-4725-ad00-1ac704cc0ba1 | mp-7492 | Swap the spatial positions of atoms at indices 4 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2OB2O5
_chemical_formula_sum "La2 O6 B2"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 918a01cd-1055-466b-9581-d34c5dda36b1 | mp-767328 | Swap the spatial positions of atoms at indices 33 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe4OSi7O16FeO7
_chemical_formula_sum "Li5 Fe5 O24 Si7"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.509750270000... |
SwapAtomsAction | 488ae39a-d661-4899-9b64-8f4e17289cfc | mp-1147737 | Swap the spatial positions of atoms at indices 7 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural SLi3ZnP2LiS7
_chemical_formula_sum "S8 Li4 Zn1 P2"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_... |
SwapAtomsAction | f74d77fe-a17b-4ffa-8a10-40548ffa5655 | mp-1046667 | Swap the spatial positions of atoms at indices 2 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2OCoP2O4CoO5
_chemical_formula_sum "Mg2 O10 Co2 P2"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.467801019999... |
SwapAtomsAction | 9a542785-4580-4d67-959f-a5a27389445b | mp-1198574 | Swap the spatial positions of atoms at indices 24 and 51 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H20NH11C12N3HN4O24
_chemical_formula_sum "Mg4 H32 N8 C12 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 720c6616-2ce1-466f-ae1f-50d68a8f18e9 | mp-2646935 | Swap the spatial positions of atoms at indices 0 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural OBa3Gd2Ru2OBaO10
_chemical_formula_sum "O12 Ba4 Gd2 Ru2"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | 6971794d-126c-4ef6-a401-0c35d932776a | mp-568136 | Swap the spatial positions of atoms at indices 0 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural BrRb5V6Br10RbBr7
_chemical_formula_sum "Br18 Rb6 V6"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.99995... |
SwapAtomsAction | e7c35b69-1f8b-4f52-9929-1ca33315f2ad | mp-541140 | Swap the spatial positions of atoms at indices 22 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl7STl4Fe8S2TlS13
_chemical_formula_sum "Tl12 S16 Fe8"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 737e4d12-3165-434f-875c-7ccd96fffe10 | mp-1211422 | Swap the spatial positions of atoms at indices 2 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2BrPt2Br5N2
_chemical_formula_sum "K2 Br6 Pt2 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt ... |
SwapAtomsAction | db8c8b3b-0f2e-4ec9-a63b-c8486b4aab9c | mp-1046883 | Swap the spatial positions of atoms at indices 0 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Bi4O8
_chemical_formula_sum "Mg2 Bi4 O8"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural OMgBi4O2MgO5
_chemical_formula_sum "O8 Mg2 Bi4"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
SwapAtomsAction | c1cd0cbf-5cdb-4053-a07f-799df87ec28a | mp-1197135 | Swap the spatial positions of atoms at indices 5 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2N6O26
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural La2N3ON2O6NO19
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | b0957aa7-fdd1-45a0-96d5-d85443139aa5 | mp-1222894 | Swap the spatial positions of atoms at indices 7 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LaNd3Ga4O12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaNd2Ga4NdO12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 3835d221-38d2-476a-9556-9e71fd7de0b1 | mp-756993 | Swap the spatial positions of atoms at indices 16 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4OCoP4O6CoO7
_chemical_formula_sum "Li4 O14 Co2 P4"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_sp... |
SwapAtomsAction | ac0ddbf8-2b23-4354-86d4-dee023157e13 | mp-1032153 | Swap the spatial positions of atoms at indices 5 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg5OCoCuOMgO6
_chemical_formula_sum "Mg6 O8 Co1 Cu1"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | b96e6e8f-cb76-4a36-847f-69fbaf4d7f81 | mp-1195727 | Swap the spatial positions of atoms at indices 11 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2UOSi8O22UO5
_chemical_formula_sum "K8 Ca2 U2 O28 Si8"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | bc7b6ace-fbc7-4888-a754-5046f05fe5d4 | mp-780778 | Swap the spatial positions of atoms at indices 18 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn14P16O56
_chemical_formula_sum "Li4 Mn14 P16 O56"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_name_H... | data_image0
_chemical_formula_structural Li4Mn14OP15O23PO32
_chemical_formula_sum "Li4 Mn14 O56 P16"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_n... |
SwapAtomsAction | 179cef7b-7bc5-41ba-82ce-2dd63aaed9f8 | mp-1358572 | Swap the spatial positions of atoms at indices 26 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr11O15CrO9
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group... |
SwapAtomsAction | e5719509-c3f0-4f25-bb36-25419c45e387 | mp-9563 | Swap the spatial positions of atoms at indices 7 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li7SbLi4Sb4LiSb
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_nam... |
SwapAtomsAction | 49fe0ec1-688c-4952-88c0-e62027cb30c3 | mp-1201107 | Swap the spatial positions of atoms at indices 53 and 4 in the cif file. The indices of atoms are started from 0. | 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 Zn2B2HB17H31BH20O16
_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 62.333... |
SwapAtomsAction | 2f3e6c91-820c-4768-bc5e-38fbaf312a14 | mp-758878 | Swap the spatial positions of atoms at indices 6 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li2Fe4LiFe4O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.3701401299... |
SwapAtomsAction | e5906a1b-9954-480c-a044-0a75103256eb | mp-767746 | Swap the spatial positions of atoms at indices 16 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe2O6FeO10
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.891358140... |
SwapAtomsAction | 80c55266-84f4-473b-b4e6-99fb23cafad1 | mp-1200969 | Swap the spatial positions of atoms at indices 47 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 BOB10Pb12N4O19BO20
_chemical_formula_sum "B12 O40 Pb12 N4"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 3985387d-22a8-47db-810c-5d0c4fb30878 | mp-1197716 | Swap the spatial positions of atoms at indices 8 and 78 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Cu8Si16O48
_chemical_formula_sum "Ba8 Cu8 Si16 O48"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ba8OCu7Si16O46CuO
_chemical_formula_sum "Ba8 O48 Cu8 Si16"
_cell_length_a 13.44587733
_cell_length_b 13.44587733
_cell_length_c 13.445877329999998
_cell_angle_alpha 135.94699827000002
_cell_angle_beta 135.94699827000002
_cell_angle_gam... |
SwapAtomsAction | b106cd86-eee2-4fd2-9d2d-72f791190c9b | mp-753628 | Swap the spatial positions of atoms at indices 9 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural LiFV2F5LiF6
_chemical_formula_sum "Li2 F12 V2"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 8b3835f5-1dc7-4e8a-bcc5-d8c6d9a1b13b | mp-1239137 | Swap the spatial positions of atoms at indices 16 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8Cr8Cu8S32
_chemical_formula_sum "Zr8 Cr8 Cu8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_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 Zr5CuZr2Cr8ZrCu7S32
_chemical_formula_sum "Zr8 Cu8 Cr8 S32"
_cell_length_a 11.760433
_cell_length_b 7.059517
_cell_length_c 12.452601
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 5a9609f4-1af1-45f1-88bf-c7872a1ea63d | mp-1211877 | Swap the spatial positions of atoms at indices 4 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4HPH4PHSe2O16
_chemical_formula_sum "K4 H6 P2 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 5a8d8674-152c-4b0a-878c-f4f7f3c4ce1e | mp-555576 | Swap the spatial positions of atoms at indices 3 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Na2S4O14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_na... | data_image0
_chemical_formula_structural K2NaS4NaO14
_chemical_formula_sum "K2 Na2 S4 O14"
_cell_length_a 5.85706293
_cell_length_b 7.10730219
_cell_length_c 7.37603274
_cell_angle_alpha 100.9043664
_cell_angle_beta 90.40115408
_cell_angle_gamma 95.20157045
_space_group_n... |
SwapAtomsAction | f821e9fa-f231-44a8-b46c-817f941c1422 | mp-1113179 | Swap the spatial positions of atoms at indices 9 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2FBiF5Hg
_chemical_formula_sum "Cs2 F6 Bi1 Hg1"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
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