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 | 1994f31f-a4fb-458e-b38e-ce6e065ca3ce | mp-801544 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V2P4H16N4O16
_chemical_formula_sum "V2 P4 H16 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_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 VHP4H6VH9N4O16
_chemical_formula_sum "V2 H16 P4 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | b9932eb8-d751-4ba3-94bb-a6a4da25414e | mp-1194264 | Swap the spatial positions of atoms at indices 9 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al3NiAl12NiAlNi5
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
SwapAtomsAction | ad5ac930-d76d-4c9e-80af-6a843598f658 | mp-1192051 | Swap the spatial positions of atoms at indices 17 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd5Ni19
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... | data_image0
_chemical_formula_structural Nd3NiNdNi12NdNi6
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_gro... |
SwapAtomsAction | 9d100b35-9252-4fdd-8808-48fccd79b627 | mp-1212483 | Swap the spatial positions of atoms at indices 37 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural OHg15P4H4N4O9HgO18
_chemical_formula_sum "O28 Hg16 P4 H4 N4"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | cbf66174-6f2a-487d-8fd0-8a2b0b0c7513 | mp-1193413 | 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 Sc2H6C6O12
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_... | data_image0
_chemical_formula_structural Sc2H6C3OC2O5CO6
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.80513... |
SwapAtomsAction | 58734473-8122-4ea0-8588-19d946d6ab06 | mp-1288374 | Swap the spatial positions of atoms at indices 2 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_g... | data_image0
_chemical_formula_structural Li2OV5OVO6
_chemical_formula_sum "Li2 O8 V6"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_spac... |
SwapAtomsAction | 6f7fe96d-d85d-4598-b12d-003923f950e7 | mp-1188903 | Swap the spatial positions of atoms at indices 17 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural OPtCl8O7PtO2
_chemical_formula_sum "O10 Pt2 Cl8"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_... |
SwapAtomsAction | 10ece603-5d22-470e-9c5a-f98d6ec9ce86 | mp-1078939 | Swap the spatial positions of atoms at indices 2 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2N2F6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_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 MnNMnNF6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_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_I... |
SwapAtomsAction | 9f41d1f5-e0c6-4fb4-b26a-69b80027e190 | mp-1220278 | Swap the spatial positions of atoms at indices 20 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe2BFeCo12FeB2C
_chemical_formula_sum "Nd4 Fe4 B3 Co12 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_gro... |
SwapAtomsAction | e65cea33-71fe-4e20-a5df-24e3c18cc806 | mp-759506 | Swap the spatial positions of atoms at indices 18 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Cr2P8O28
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... | data_image0
_chemical_formula_structural Li4V2Cr2P3OP4O2PO25
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051... |
SwapAtomsAction | 17e4d83c-d9c8-458f-b39c-a2dd351e5291 | mp-1305999 | Swap the spatial positions of atoms at indices 3 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3ONi4O5TiO2
_chemical_formula_sum "Li3 O8 Ni4 Ti1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998... |
SwapAtomsAction | 1c086311-b4d4-42e8-b77e-d3ad08e68740 | mp-27868 | 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 V2N2Cl8
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V2NCl5NCl3
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-... |
SwapAtomsAction | 70149972-97ca-4e8b-aa2c-0162a24fae7b | mp-1224356 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge2TeGe2Te3GeSe
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma ... |
SwapAtomsAction | 7c39df09-6f6d-48a6-bdba-d44547c496ad | mp-756136 | Swap the spatial positions of atoms at indices 4 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4IPb3I12PbI3
_chemical_formula_sum "Ca4 I16 Pb4"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 682bdf4a-4e2f-4bc5-841f-23699fa24e85 | mp-849219 | Swap the spatial positions of atoms at indices 1 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O8F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural VOV4O2VO5F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt ... |
SwapAtomsAction | e9e80237-d656-4044-b9b4-9f27b761a189 | mp-7492 | Swap the spatial positions of atoms at indices 9 and 3 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 La2BO6B
_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 ... |
SwapAtomsAction | e2856696-0594-4e3f-b77f-714ec80fb956 | mp-1233403 | Swap the spatial positions of atoms at indices 4 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2MgNb6N2O14
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
... | data_image0
_chemical_formula_structural Ba2MgNbONb4N2O8NbO5
_chemical_formula_sum "Ba2 Mg1 Nb6 O14 N2"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.1567911999... |
SwapAtomsAction | 755a7c43-6bc0-4930-8ee6-025417ebeccb | mp-1223484 | Swap the spatial positions of atoms at indices 31 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V6Pb8O24
_chemical_formula_sum "K2 V6 Pb8 O24"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural OKV6Pb8O15KO8
_chemical_formula_sum "O24 K2 V6 Pb8"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H... |
SwapAtomsAction | 5f669fb5-4c88-48db-8efe-465b2c857061 | mp-2452 | 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 P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P2OPO4PO5
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name... |
SwapAtomsAction | 6e4ab020-b329-4ad4-bd58-5c724d7ad9e6 | mp-29817 | Swap the spatial positions of atoms at indices 11 and 68 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P3IP12I44PI27
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 534c8c7f-d0fd-4362-97aa-71c57d1c474a | mp-777466 | Swap the spatial positions of atoms at indices 23 and 45 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Fe8F32
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... | data_image0
_chemical_formula_structural Li16Fe7F22FeF10
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_gro... |
SwapAtomsAction | ae342caf-03b0-45b6-96aa-d0bfb5042690 | mp-770799 | Swap the spatial positions of atoms at indices 5 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li5NbLi5NbO10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_s... |
SwapAtomsAction | 0d1bcc2e-4ab9-4888-ba43-5073fd71dd5d | mp-1218785 | Swap the spatial positions of atoms at indices 39 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle... | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu4OCu3Pb2O15CuO12
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 O28 Pb2"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_c... |
SwapAtomsAction | 9efd79b6-67e5-4ea6-ab13-cfadcb2ecd13 | mp-1110792 | Swap the spatial positions of atoms at indices 3 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3InCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Na2InNaCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... |
SwapAtomsAction | 0462eb25-089a-4963-aaa0-5cdbe01252cb | mp-1221912 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural SMnCrGa3S5MnS2
_chemical_formula_sum "S8 Mn2 Cr1 Ga3"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005... |
SwapAtomsAction | 64f97ab9-347c-4825-827f-71c0f89a60c1 | mp-2884 | Swap the spatial positions of atoms at indices 4 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Mn6S8
_chemical_formula_sum "Cs4 Mn6 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... | data_image0
_chemical_formula_structural Cs4SMn5S6MnS
_chemical_formula_sum "Cs4 S8 Mn6"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_gro... |
SwapAtomsAction | 06dda86a-d506-4fa7-a344-3ec78bab2e31 | mp-558545 | Swap the spatial positions of atoms at indices 9 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8SNS2N10SNCl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 95619e1c-c4a7-48e4-ada1-c81c9828eddc | mp-705680 | Swap the spatial positions of atoms at indices 3 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La3OMo4O11LaO6
_chemical_formula_sum "La4 O18 Mo4"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.763029889999... |
SwapAtomsAction | 6b0f4706-c857-4fac-a2f6-5d6fc7fda402 | mp-25284 | 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 Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn3NiMnNiO12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space... |
SwapAtomsAction | 47a41835-cc0a-4661-be94-054cf74c4c0a | mp-643263 | Swap the spatial positions of atoms at indices 10 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3VH6O7
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... | data_image0
_chemical_formula_structural Na3VH5OHO6
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
... |
SwapAtomsAction | 86726326-c37e-4037-ae4e-7fcc5bbf5f37 | mp-697170 | Swap the spatial positions of atoms at indices 39 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4NH23Br8N3HN4
_chemical_formula_sum "Mg4 N8 H24 Br8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 54b823f7-c7ac-4093-9cdc-aa6de3b47585 | mp-1193845 | Swap the spatial positions of atoms at indices 23 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural CuHo5Al7Cu10HoCu5
_chemical_formula_sum "Cu16 Ho6 Al7"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
SwapAtomsAction | 9887b99f-3bc7-4125-9d48-c9936167dece | mp-1106174 | Swap the spatial positions of atoms at indices 6 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb6RhTb7RhTbRh4
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095... |
SwapAtomsAction | ff85988a-4a1e-4041-801f-5c5b6ea4f507 | mp-16431 | Swap the spatial positions of atoms at indices 16 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NdFe4P12
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_nam... | data_image0
_chemical_formula_structural NdFePFe2P11Fe
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_grou... |
SwapAtomsAction | b146702b-80ed-4480-a7a2-e51eb91392d1 | mp-1236250 | Swap the spatial positions of atoms at indices 10 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo2OCo2SbO3CoO4
_chemical_formula_sum "Li1 Co5 O8 Sb1"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.9593... |
SwapAtomsAction | 8d2674eb-1f2e-4386-befc-6a6161a7f20c | mp-675818 | Swap the spatial positions of atoms at indices 13 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li10AsTiAsLiAs3
_chemical_formula_sum "Li11 As5 Ti1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
SwapAtomsAction | 908e91be-45c0-4af7-ad41-6715ff56779d | mp-1043721 | Swap the spatial positions of atoms at indices 31 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi3O20Bi
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | b8a0b3f3-c4e9-4d8d-ba4f-f68f00e3c5a2 | mp-1180529 | 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 Li4Mn4P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... | data_image0
_chemical_formula_structural Li2MnLi2Mn3P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.5258... |
SwapAtomsAction | 0e437b87-7ceb-4b3a-af3c-3c81086e1c84 | mp-1226424 | Swap the spatial positions of atoms at indices 31 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Er10P12S48
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... | data_image0
_chemical_formula_structural Cs6Er10P7SP4S3PS44
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_... |
SwapAtomsAction | a563bda5-2f65-4150-9d35-3149185f7453 | mp-766117 | Swap the spatial positions of atoms at indices 21 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... | data_image0
_chemical_formula_structural Sn16N5ON10O5NO2
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
... |
SwapAtomsAction | 741379e1-d633-4ac1-af4c-9e0d233ce877 | mp-1189274 | Swap the spatial positions of atoms at indices 15 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12Ru4
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_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 Er7RuEr4Ru3Er
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_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 | f11b8eb3-d49f-43db-a077-f5fbcf03171e | mp-29957 | Swap the spatial positions of atoms at indices 4 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr15Te18
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr4TeZr10Te9ZrTe8
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_nam... |
SwapAtomsAction | 69125590-ee50-4a57-91b4-98afe873f666 | mp-1102040 | Swap the spatial positions of atoms at indices 2 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Sn4Pt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca2SnCaSn3CaPt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1fc6dd86-ad75-449e-ada3-106556a21c25 | mp-1220018 | Swap the spatial positions of atoms at indices 20 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2Mn17C2
_chemical_formula_sum "Pr2 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
... | data_image0
_chemical_formula_structural PrCMn17CPr
_chemical_formula_sum "Pr2 C2 Mn17"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702... |
SwapAtomsAction | 0afefcd0-bb5f-4819-bba5-3651ee4b1438 | mp-1228744 | 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 Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural VBa5V2BaV5P12O48
_chemical_formula_sum "V8 Ba6 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 985c35c9-94b6-4a88-9133-f2aee17e8e16 | mp-760194 | Swap the spatial positions of atoms at indices 0 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural VLi7V7LiF48
_chemical_formula_sum "V8 Li8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | edb295ff-59e6-4175-8d07-6b2027a7a647 | mp-1181679 | Swap the spatial positions of atoms at indices 31 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga8Si8C32N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... | data_image0
_chemical_formula_structural Ga8SiCSi6C15SiC16N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma... |
SwapAtomsAction | d8f73369-2749-4819-9cfe-93be1e2d02c0 | mp-1101024 | Swap the spatial positions of atoms at indices 1 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Zn8O16
_chemical_formula_sum "Ti4 Zn8 O16"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 TiOTi2Zn8O15Ti
_chemical_formula_sum "Ti4 O16 Zn8"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | 96865a21-7fcc-4f80-951d-9ae63d5086e6 | mp-1518110 | 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 SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuOCoO3YO2
_chemical_formula_sum "Sr1 Eu1 O6 Co1 Y1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... |
SwapAtomsAction | 24d31727-e154-47f2-a3a0-73fa8421d725 | mp-770874 | Swap the spatial positions of atoms at indices 1 and 33 in the cif file. The indices of atoms are started from 0. | 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 NaONa10Co4P2C8O7NaO24
_chemical_formula_sum "Na12 O32 Co4 P2 C8"
_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 ... |
SwapAtomsAction | 9e4210d4-6f26-42c2-8a57-3240347a8872 | mp-29082 | Swap the spatial positions of atoms at indices 14 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba6NBa3Cr2N2BaN7
_chemical_formula_sum "Ba10 N10 Cr2"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043... |
SwapAtomsAction | 7cc5fc6f-c2ea-4b1d-82cc-b6b1ea0a3cb6 | mp-1212423 | Swap the spatial positions of atoms at indices 12 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12FeIn2FeIn
_chemical_formula_sum "Ho12 Fe2 In3"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_gro... |
SwapAtomsAction | 250d88de-d9ac-41b1-a49f-8d7e967f556b | mp-1201334 | 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 NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH13PdH7C4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 59c6b617-a5bf-4767-8f8b-87da3f6546a6 | mp-698325 | Swap the spatial positions of atoms at indices 13 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4H16C12O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... | data_image0
_chemical_formula_structural Ba4H9CH6C8HC3O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.0... |
SwapAtomsAction | 06ea499f-d500-4b45-8195-87695e27e6b9 | mp-1031354 | Swap the spatial positions of atoms at indices 10 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6TiCO8
_chemical_formula_sum "Mg6 Ti1 C1 O8"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg3OMg2TiCO2MgO5
_chemical_formula_sum "Mg6 O8 Ti1 C1"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | c1855368-83eb-490a-bd36-10ed67cb4f69 | mp-532718 | Swap the spatial positions of atoms at indices 13 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd5Mn2NdMn10O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | b920b39d-3129-49eb-a32a-21c9b8def542 | mp-1212504 | Swap the spatial positions of atoms at indices 49 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H11OH8W4O5HO30
_chemical_formula_sum "Nd8 P12 H20 O36 W4"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SwapAtomsAction | ab72c0ac-9b49-461a-83a9-e062fbb5fe42 | mp-1194285 | Swap the spatial positions of atoms at indices 5 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu4Mo4Br4O16
_chemical_formula_sum "Lu4 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... | data_image0
_chemical_formula_structural Lu4MoOMo2Br4O3MoO12
_chemical_formula_sum "Lu4 Mo4 O16 Br4"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.4299255... |
SwapAtomsAction | 109d0bbe-4213-434d-b7a4-d554a682f5a7 | mp-980108 | Swap the spatial positions of atoms at indices 1 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SmOSm2Mg2Ir2OSmO10
_chemical_formula_sum "Sm4 O12 Mg2 Ir2"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | ce65dc6f-aa4f-4a3c-976e-5d56fa42d6f1 | mp-1046973 | Swap the spatial positions of atoms at indices 16 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural NbONb2Zn4Ni2O6NbO9
_chemical_formula_sum "Nb4 O16 Zn4 Ni2"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_spac... |
SwapAtomsAction | 842a7aa9-d943-4850-b5e7-050f3dac2488 | mp-761271 | Swap the spatial positions of atoms at indices 6 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O4F16
_chemical_formula_sum "Li8 V4 O4 F16"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... | data_image0
_chemical_formula_structural Li6FLiV4O4F8LiF7
_chemical_formula_sum "Li8 F16 V4 O4"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_sp... |
SwapAtomsAction | 8aa4501d-d81a-4efe-b558-06184f3ceaf2 | mp-1219571 | 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 Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural FRbMg2Cr2F7RbF4
_chemical_formula_sum "F12 Rb2 Mg2 Cr2"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space... |
SwapAtomsAction | 63c588b0-1742-45d1-aec8-54dea47a7b26 | mp-685281 | Swap the spatial positions of atoms at indices 3 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnHFH10O6F4HF
_chemical_formula_sum "Ti1 Zn1 H12 F6 O6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
... |
SwapAtomsAction | c55ee67a-6567-4ba5-af5e-bd419e7b30ea | mp-759040 | Swap the spatial positions of atoms at indices 10 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4P10O30
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Mn4P4OP5O19PO10
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | ef1474ea-9a40-494f-89fa-9eb1d5437c24 | mp-510056 | Swap the spatial positions of atoms at indices 9 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV3OCu3OVO10
_chemical_formula_sum "Ca1 V4 O12 Cu3"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
SwapAtomsAction | 2f060ed3-2d74-4788-8f08-0b106c6700fb | mp-556233 | Swap the spatial positions of atoms at indices 11 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4O6Cl
_chemical_formula_sum "K1 As4 O6 Cl1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... |
SwapAtomsAction | 99d73aac-b3a6-4207-a456-64d9af02ea0e | mp-753289 | Swap the spatial positions of atoms at indices 4 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 Li4FV3F8VF11
_chemical_formula_sum "Li4 F20 V4"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SwapAtomsAction | 004ad1e8-87bc-48bc-a355-732a6db2b0ff | mp-18612 | 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 Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Rb4SRb3Mo4S12RbS3
_chemical_formula_sum "Rb8 S16 Mo4"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | d210837c-d000-441c-8734-f6d9d9bc5d35 | mp-27623 | Swap the spatial positions of atoms at indices 43 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na24Pb4O16
_chemical_formula_sum "Na24 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... | data_image0
_chemical_formula_structural Na18ONa5Pb4O15Na
_chemical_formula_sum "Na24 O16 Pb4"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.4712... |
SwapAtomsAction | 4c8e9de7-ac0f-49e5-8db7-e2f3122f4e48 | mp-1226129 | Swap the spatial positions of atoms at indices 4 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ga4Ge8
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Eu2Ga2GeGaGe2GaGe5
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt... |
SwapAtomsAction | d12e97e5-de6d-4137-bd70-6de4a4f4d1f9 | mp-557908 | Swap the spatial positions of atoms at indices 3 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural As2H10C2O2F12
_chemical_formula_sum "As2 H10 C2 O2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural As2HOH8C2OHF12
_chemical_formula_sum "As2 H10 O2 C2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3c13a4d7-c2bc-4e46-9a1b-9dc8fbb8f1f9 | mp-20673 | Swap the spatial positions of atoms at indices 0 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6Ge6
_chemical_formula_sum "Mg1 Fe6 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space... | data_image0
_chemical_formula_structural Fe2MgFe4Ge6
_chemical_formula_sum "Fe6 Mg1 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_sp... |
SwapAtomsAction | d90a87dd-a3f9-47e7-a140-69f98050e525 | mp-758878 | Swap the spatial positions of atoms at indices 23 and 3 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 Li3FFe7O3F9FeF3
_chemical_formula_sum "Li3 F13 Fe8 O3"
_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 59.37014012999... |
SwapAtomsAction | 0b0694ac-39a9-4b5c-8e46-02257159d3f7 | mp-757738 | Swap the spatial positions of atoms at indices 18 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe18OCo5O5FeO26
_chemical_formula_sum "Fe19 O32 Co5"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.... |
SwapAtomsAction | e4dc32dc-24fb-4a49-a941-60a2b831e871 | mp-560175 | Swap the spatial positions of atoms at indices 17 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo7O4MoO28
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_... |
SwapAtomsAction | c8c504d2-9081-4abb-842b-2e4cce5c5119 | mp-779589 | Swap the spatial positions of atoms at indices 25 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Na11Sb14NaSb6O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | fbd79a67-02df-480a-9bd9-2aeffba5714c | mp-26941 | Swap the spatial positions of atoms at indices 18 and 3 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 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li3OMn4P4O6LiO9
_chemical_formula_sum "Li4 O16 Mn4 P4"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_spa... |
SwapAtomsAction | 4c7acf9c-a2ba-401a-a5ad-366aefa6003d | mp-558119 | Swap the spatial positions of atoms at indices 19 and 65 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo3OMo12O33MoO10
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | a40fcfdf-7868-48dc-a3a9-40f30e23746a | mp-4344 | 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 Ho2Ta2O8
_chemical_formula_sum "Ho2 Ta2 O8"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space_group... | data_image0
_chemical_formula_structural OHoTa2OHoO6
_chemical_formula_sum "O8 Ho2 Ta2"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space_gr... |
SwapAtomsAction | ed5b4eca-0a68-4498-a13f-83f2642925bd | mp-1206879 | Swap the spatial positions of atoms at indices 4 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural FK2AuKF5
_chemical_formula_sum "F6 K3 Au1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_g... |
SwapAtomsAction | a201ebc7-1c92-4d7c-b92c-f517e4d88879 | mp-1173626 | Swap the spatial positions of atoms at indices 5 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4CO2CO8
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 45b8ccc0-b245-4755-9640-cf1d22aadb01 | mp-532626 | Swap the spatial positions of atoms at indices 30 and 56 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NdAl6Si30N45O3
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
_spac... | data_image0
_chemical_formula_structural NdAl6Si23NSi6N19SiN25O3
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.556595... |
SwapAtomsAction | b1d96641-5eba-400a-8126-bf42a64865e3 | mp-774947 | Swap the spatial positions of atoms at indices 26 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti4Co14O36
_chemical_formula_sum "Li8 Ti4 Co14 O36"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_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 Li5OLi2Ti4Co14LiO35
_chemical_formula_sum "Li8 O36 Ti4 Co14"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 87f4eff7-0bd3-4ce5-a770-d6b22649f5d2 | mp-1112428 | Swap the spatial positions of atoms at indices 1 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural KClEuAuCl4KCl
_chemical_formula_sum "K2 Cl6 Eu1 Au1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
... |
SwapAtomsAction | 65175005-fe0d-40a6-83a8-6ea2afdc880f | mp-1246630 | Swap the spatial positions of atoms at indices 12 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca14Pt2N12
_chemical_formula_sum "Ca14 Pt2 N12"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_group_nam... | data_image0
_chemical_formula_structural Ca12NCaPt2CaN11
_chemical_formula_sum "Ca14 N12 Pt2"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_grou... |
SwapAtomsAction | 873776ed-1066-4c3c-870e-b349f55b7dcd | mp-774323 | Swap the spatial positions of atoms at indices 11 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P3OP4O15PO12
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.1175834799999... |
SwapAtomsAction | 091a7878-2ba5-498d-a83a-ed8266dca035 | mp-1238912 | 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 Zr3CoF6
_chemical_formula_sum "Zr3 Co1 F6"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3F5CoF
_chemical_formula_sum "Zr3 F6 Co1"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_name_... |
SwapAtomsAction | aeb34eeb-6d9a-48f2-b068-35a645193a0a | mp-1045008 | Swap the spatial positions of atoms at indices 12 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlWOWO6W
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
SwapAtomsAction | 214013d2-ba68-41b1-9171-ae77546c4fa6 | mp-760233 | Swap the spatial positions of atoms at indices 8 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P2OP4O23
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645... |
SwapAtomsAction | beeb51fd-2d7b-46f4-95d8-d117c01b408b | mp-1181218 | Swap the spatial positions of atoms at indices 5 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... | data_image0
_chemical_formula_structural Mn5OMn4Si10O26MnO3
_chemical_formula_sum "Mn10 O30 Si10"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32... |
SwapAtomsAction | cb95f6de-aaab-47bc-b2bd-da265a8f026c | mp-767746 | Swap the spatial positions of atoms at indices 31 and 16 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 Li12Mn2Fe2O15FeO
_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 118.8913581400... |
SwapAtomsAction | 5f12afbd-6581-4550-afc2-777b0acdd1bc | mp-2715422 | Swap the spatial positions of atoms at indices 4 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na4ONa7Sc4Al4P12O6NaO41
_chemical_formula_sum "Na12 O48 Sc4 Al4 P12"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.956... |
SwapAtomsAction | 1b91c7da-2464-4870-851c-5f636d440ffb | mp-12109 | 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 Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural ReZr3ReZrRe6
_chemical_formula_sum "Re8 Zr4"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 7eaf1117-d528-45dc-a41d-f273ee394415 | mp-758218 | Swap the spatial positions of atoms at indices 0 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural OLi3Ti4P8O19LiO8
_chemical_formula_sum "O28 Li4 Ti4 P8"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 97ed5cc1-a686-430d-8fe6-057e24a3f278 | mp-1520271 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural BaNdOBiO4EuO
_chemical_formula_sum "Ba1 Nd1 O6 Bi1 Eu1"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
SwapAtomsAction | c1b1fa1c-8a5e-4c91-bfa8-aa2b34a9ffd5 | mp-1203577 | Swap the spatial positions of atoms at indices 19 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4C8Se7ON8O14SeO29
_chemical_formula_sum "U4 C8 Se8 O44 N8"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 3aa08ba5-d8fe-4ac6-be4a-6f310e5d7b9e | mp-2228450 | 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 MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural CdMn3CdMgO8
_chemical_formula_sum "Cd2 Mn3 Mg1 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
SwapAtomsAction | 51847ee6-6ee7-4e99-837e-22ae53ae15a7 | mp-1104064 | 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 Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2HOI2HO7
_chemical_formula_sum "Zn2 H2 O8 I2"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group... |
SwapAtomsAction | 390441b0-c51f-4778-b1c0-88d065c61b84 | mp-666156 | Swap the spatial positions of atoms at indices 21 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te6OTeO9TeO8
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_spac... |
SwapAtomsAction | 67b3397d-490c-4d70-b11f-86e7b047816a | mp-1208560 | Swap the spatial positions of atoms at indices 5 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... | data_image0
_chemical_formula_structural TaClTl2ClTaCl10
_chemical_formula_sum "Ta2 Cl12 Tl2"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.5580618800000... |
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