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 | c6d5fd5d-0a75-4f22-bf55-a82d70c778ef | mp-1044828 | Swap the spatial positions of atoms at indices 37 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Sn12O24
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
_space_... | data_image0
_chemical_formula_structural Ca6Sn9OSn2O19SnO4
_chemical_formula_sum "Ca6 Sn12 O24"
_cell_length_a 6.90739232
_cell_length_b 6.9073923200000005
_cell_length_c 16.91513194
_cell_angle_alpha 89.50690369
_cell_angle_beta 89.50690369
_cell_angle_gamma 56.98103381
... |
SwapAtomsAction | bcd8bb28-21e6-4adb-90fc-7830cb7318b9 | mp-2218385 | 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 MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural FMn4O4MgF3
_chemical_formula_sum "F4 Mn4 O4 Mg1"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gr... |
SwapAtomsAction | ae2064b3-e99a-40f5-add7-c046991e93a6 | mp-972121 | 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 TmAl8Cr4
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_group_n... | data_image0
_chemical_formula_structural TmAl4CrAl4Cr3
_chemical_formula_sum "Tm1 Al8 Cr4"
_cell_length_a 6.77139271
_cell_length_b 6.77139271
_cell_length_c 6.77139271
_cell_angle_alpha 97.9981911
_cell_angle_beta 97.9981911
_cell_angle_gamma 136.19636589999996
_space_gr... |
SwapAtomsAction | fbf960f6-003b-4da8-ae8c-4aa24eac785c | mp-720255 | Swap the spatial positions of atoms at indices 37 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P8OP3ClO4PO43F3
_chemical_formula_sum "Sr20 P12 O48 Cl1 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.00231... |
SwapAtomsAction | c8994e1e-fd41-41e4-a7c4-b63db49c7243 | mp-1210947 | Swap the spatial positions of atoms at indices 22 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural OLuAg2W4O14LuO
_chemical_formula_sum "O16 Lu2 Ag2 W4"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_spac... |
SwapAtomsAction | 8605362d-cbb1-4459-8679-3153a5491fcd | mp-720430 | Swap the spatial positions of atoms at indices 19 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H11OH2O3HO14
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_sp... |
SwapAtomsAction | d617bdd3-ea84-4aa4-9263-e6b769c55805 | mp-1194492 | Swap the spatial positions of atoms at indices 4 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al3TeAlTeS2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | cebfbb44-b7e4-4da6-98f8-051d4be191e7 | mp-1518832 | Swap the spatial positions of atoms at indices 39 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr2OPrNb4O23Pr
_chemical_formula_sum "Ba4 Na4 Pr4 O24 Nb4"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 881ddb21-0212-44a5-9134-c9b192336c41 | mp-1223055 | 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 La8Mg2Cr6O24
_chemical_formula_sum "La8 Mg2 Cr6 O24"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.67831836
_spa... | data_image0
_chemical_formula_structural La4OLa3Mg2Cr6O22LaO
_chemical_formula_sum "La8 O24 Mg2 Cr6"
_cell_length_a 7.86161243
_cell_length_b 7.914223340000001
_cell_length_c 7.87884488
_cell_angle_alpha 89.97539867
_cell_angle_beta 89.95009291
_cell_angle_gamma 89.6783183... |
SwapAtomsAction | d2f7bb55-d360-4730-8165-ce822b9fcf5a | mp-19140 | Swap the spatial positions of atoms at indices 29 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K11OMn4O13KO2
_chemical_formula_sum "K12 O16 Mn4"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.379392789... |
SwapAtomsAction | 6f0711d3-70bd-4caf-8cae-8986a9068206 | mp-1205609 | Swap the spatial positions of atoms at indices 8 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2P2Os4C2
_chemical_formula_sum "Pr2 P2 Os4 C2"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Pr2P2COs4C
_chemical_formula_sum "Pr2 P2 C2 Os4"
_cell_length_a 5.87434922
_cell_length_b 5.87434922
_cell_length_c 7.147218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.53883479
_space_group_name_H-M_alt "... |
SwapAtomsAction | 28556c1f-d85c-4a98-a764-ff76bcf224f8 | mp-23675 | Swap the spatial positions of atoms at indices 8 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H4BrH4BrN2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | c69ace27-9ff3-41f6-8478-d093b669171e | mp-780891 | 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 Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space_group_... | data_image0
_chemical_formula_structural Fe4OFe3OFeO12F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.19630577
_cell_length_b 7.19630577
_cell_length_c 5.519081169999999
_cell_angle_alpha 71.83725514
_cell_angle_beta 71.83725514
_cell_angle_gamma 80.10399085
_space... |
SwapAtomsAction | cd509083-7d93-40b1-90cc-da9bc1c3c274 | mp-558102 | Swap the spatial positions of atoms at indices 1 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KLiKLiSi4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 1ea4738b-2caa-4d97-89f4-f3ec4e1e76dd | mp-1020147 | Swap the spatial positions of atoms at indices 25 and 64 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Mg8P12N4O36
_chemical_formula_sum "Na8 Mg8 P12 N4 O36"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_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 Na8Mg8P9OP2N4O32PO3
_chemical_formula_sum "Na8 Mg8 P12 O36 N4"
_cell_length_a 9.352436
_cell_length_b 9.352436
_cell_length_c 9.352436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | befe535b-308b-4ea8-abf5-6780df3b9e54 | mp-2217356 | Swap the spatial positions of atoms at indices 10 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2OMgBiO5Y
_chemical_formula_sum "Ba2 O6 Mg1 Bi1 Y1"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.9956164... |
SwapAtomsAction | 71574254-562a-40a6-86be-0015e3c98fde | mp-778157 | Swap the spatial positions of atoms at indices 6 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe10O6F14
_chemical_formula_sum "Fe10 O6 F14"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4524454... | data_image0
_chemical_formula_structural Fe6FFe3O6F7FeF6
_chemical_formula_sum "Fe10 F14 O6"
_cell_length_a 4.78456862
_cell_length_b 4.783618090000001
_cell_length_c 15.727625559999998
_cell_angle_alpha 89.83781460999998
_cell_angle_beta 90.05519869
_cell_angle_gamma 90.4... |
SwapAtomsAction | 40f5aecd-dd63-4f27-8203-2a7f02255a5f | mp-1191832 | 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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2MoOMo6O8MoO3
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 6ba5a61c-9df5-4087-9433-14a8b77af710 | mp-777349 | Swap the spatial positions of atoms at indices 14 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn5FO6F2MnF3
_chemical_formula_sum "Mn6 F6 O6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space... |
SwapAtomsAction | ab78e243-dd35-43e5-b4fb-43d140c2dfa5 | mp-1214002 | Swap the spatial positions of atoms at indices 2 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce2PdP6Pd8CePd11
_chemical_formula_sum "Ce3 Pd20 P6"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.030137400... |
SwapAtomsAction | f8043323-f20a-45b6-9dd6-95ae670d3835 | mp-27772 | 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 Nb6I16
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.57353019999999
_sp... | data_image0
_chemical_formula_structural Nb4INbI10NbI5
_chemical_formula_sum "Nb6 I16"
_cell_length_a 15.08258044
_cell_length_b 15.08258044
_cell_length_c 15.08257981
_cell_angle_alpha 29.57353376000001
_cell_angle_beta 29.573533759999997
_cell_angle_gamma 29.573530199999... |
SwapAtomsAction | 278c0233-c586-4f8d-8828-160f45751270 | mp-866812 | Swap the spatial positions of atoms at indices 19 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2Ta4S12Cl12O2
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.786650... | data_image0
_chemical_formula_structural U2Ta4S12ClOCl11O
_chemical_formula_sum "U2 Ta4 S12 Cl12 O2"
_cell_length_a 6.986233
_cell_length_b 9.6792223
_cell_length_c 12.87159687
_cell_angle_alpha 84.14986946999998
_cell_angle_beta 83.15207639999998
_cell_angle_gamma 88.7866... |
SwapAtomsAction | da1b965e-e7e4-4bbe-9449-cfec22e830d4 | mp-753734 | Swap the spatial positions of atoms at indices 14 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural OMn3Cr2O8MnO3
_chemical_formula_sum "O12 Mn4 Cr2"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt ... |
SwapAtomsAction | 48f0fab6-98b9-49b8-bb41-0362669fcd05 | mp-17256 | Swap the spatial positions of atoms at indices 7 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf3FHf2O2F3HfF20
_chemical_formula_sum "Rb4 Hf6 F24 O2"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.331936... |
SwapAtomsAction | 90edaf80-04e1-43f0-be23-14333fdfde63 | mp-777845 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6FO4F3OF3
_chemical_formula_sum "Fe6 F7 O5"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_... |
SwapAtomsAction | c73bcee2-0842-47d8-ab8c-2790567288c6 | mp-765689 | Swap the spatial positions of atoms at indices 1 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O4F12
_chemical_formula_sum "Li8 Co6 O4 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.16652366999999
... | data_image0
_chemical_formula_structural LiOLi6Co6OLiO2F12
_chemical_formula_sum "Li8 O4 Co6 F12"
_cell_length_a 5.26384155
_cell_length_b 5.94325295
_cell_length_c 10.44901011
_cell_angle_alpha 89.02161268999998
_cell_angle_beta 80.05865371
_cell_angle_gamma 72.1665236699... |
SwapAtomsAction | 6c1b76cd-474d-494a-ac8e-e8dbcb7cecd0 | mp-1192677 | Swap the spatial positions of atoms at indices 21 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr2IPr3OsI10PrI2
_chemical_formula_sum "Cs4 Pr6 I13 Os1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 8... |
SwapAtomsAction | 4d66c2c2-9315-4ec3-980a-8c6445e51ffa | mp-1336779 | Swap the spatial positions of atoms at indices 21 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20FeSFe8S32FeS7
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma... |
SwapAtomsAction | 79023f55-8b84-413a-8935-5d9eec9452fe | mp-1200075 | Swap the spatial positions of atoms at indices 39 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H24NHPt2C6N5HCl4O2
_chemical_formula_sum "H26 N6 Pt2 C6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523... |
SwapAtomsAction | 616ac314-89e6-4d8e-bd33-b82388134c58 | mp-28684 | Swap the spatial positions of atoms at indices 73 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se10FSe5F43SeF26
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 6acbc3e8-20f6-4d92-af86-70e1ef6c8d91 | mp-2228398 | Swap the spatial positions of atoms at indices 13 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo6O9F3
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space_gr... | data_image0
_chemical_formula_structural MgCo6O6FO3F2
_chemical_formula_sum "Mg1 Co6 O9 F3"
_cell_length_a 4.96812265
_cell_length_b 4.97965833
_cell_length_c 8.61320675
_cell_angle_alpha 89.06827837
_cell_angle_beta 91.67215628
_cell_angle_gamma 102.36653829000001
_space... |
SwapAtomsAction | 4253320b-c415-4313-a77e-aeb1ae60d11e | mp-1095109 | 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 Ba2BiIrO6
_chemical_formula_sum "Ba2 Bi1 Ir1 O6"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Ba2OIrBiO5
_chemical_formula_sum "Ba2 O6 Ir1 Bi1"
_cell_length_a 6.07830403
_cell_length_b 6.07830403
_cell_length_c 6.078304029999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999... |
SwapAtomsAction | 2360b381-bfcc-4bc8-af45-0be481ee6e53 | mp-1226415 | Swap the spatial positions of atoms at indices 3 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co3OMo4O10CoO8
_chemical_formula_sum "Co4 O19 Mo4"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_nam... |
SwapAtomsAction | 4070e281-9c42-457e-8c5d-6fea04b8a10d | mp-603241 | Swap the spatial positions of atoms at indices 39 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si6OSi9O15SiO24
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99... |
SwapAtomsAction | e2d70c72-b99e-4a66-8efa-34a1fef68567 | mp-561286 | Swap the spatial positions of atoms at indices 11 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn11SZn8S13ZnS6
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_... |
SwapAtomsAction | 6d45fb5d-1369-4090-b92c-edf103fa0551 | mp-27197 | Swap the spatial positions of atoms at indices 13 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8As4O14
_chemical_formula_sum "Na8 As4 O14"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma 118.... | data_image0
_chemical_formula_structural Na7OAs4ONaO12
_chemical_formula_sum "Na8 O14 As4"
_cell_length_a 5.84356663
_cell_length_b 5.843566630000001
_cell_length_c 12.222710270000002
_cell_angle_alpha 88.52213325999999
_cell_angle_beta 88.52213325999999
_cell_angle_gamma ... |
SwapAtomsAction | 5c747111-152b-4d10-8e9d-52dc01c7860c | mp-1210214 | Swap the spatial positions of atoms at indices 9 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi3O11BiO7
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 3f4cc346-810f-4776-ac88-50797fbb806b | mp-690490 | 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 Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ti3OV4O5TiO10
_chemical_formula_sum "Ti4 O16 V4"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 375ef3e1-5b2d-443c-a58b-6dcc03467a34 | mp-510 | Swap the spatial positions of atoms at indices 41 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta3OTa12O25TaO6
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_spac... |
SwapAtomsAction | 3fd87650-0e05-47e1-8209-22281b56a2e7 | mp-667336 | Swap the spatial positions of atoms at indices 59 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs9TeCs6Zr12Te31CsTe32
_chemical_formula_sum "Cs16 Te64 Zr12"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | ad745740-970e-4ef1-b81e-004df31b9cc4 | mp-795772 | Swap the spatial positions of atoms at indices 7 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb10Co4O8
_chemical_formula_sum "Rb10 Co4 O8"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001
_spac... | data_image0
_chemical_formula_structural Rb7ORb2Co4O4RbO3
_chemical_formula_sum "Rb10 O8 Co4"
_cell_length_a 7.061377
_cell_length_b 9.32316657
_cell_length_c 9.725491290000003
_cell_angle_alpha 118.05706487
_cell_angle_beta 89.66912512
_cell_angle_gamma 108.44379706000001... |
SwapAtomsAction | 0e1a1c00-9f3b-4eef-8e01-b7b78cd9c01a | mp-568534 | Swap the spatial positions of atoms at indices 11 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P16C8Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural P11CP4C5PC2Se12N8
_chemical_formula_sum "P16 C8 Se12 N8"
_cell_length_a 6.853759
_cell_length_b 12.511679
_cell_length_c 14.24437576
_cell_angle_alpha 72.46563389
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | df21625e-b9d6-4803-a734-a6449ce865e3 | mp-1229207 | Swap the spatial positions of atoms at indices 7 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Si8O24
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
_space_g... | data_image0
_chemical_formula_structural Al4Si3OSi4O7SiO16
_chemical_formula_sum "Al4 Si8 O24"
_cell_length_a 9.563469
_cell_length_b 9.57905997
_cell_length_c 9.71377535
_cell_angle_alpha 94.47840969
_cell_angle_beta 95.04810756999998
_cell_angle_gamma 94.63304470999998
... |
SwapAtomsAction | 430cb938-b70e-4063-a4b3-9b6697fc8894 | mp-1173764 | Swap the spatial positions of atoms at indices 16 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6NbONbO23
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.04470471000... |
SwapAtomsAction | 4a9a986c-1038-4d45-b011-783fbdd74284 | mp-1219521 | 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 Sb4As4Ir4
_chemical_formula_sum "Sb4 As4 Ir4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural SbIrSb2As4Ir2SbIr
_chemical_formula_sum "Sb4 Ir4 As4"
_cell_length_a 6.398697
_cell_length_b 6.4034486
_cell_length_c 6.55434184
_cell_angle_alpha 114.09464444
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 35b909c9-3e70-45fe-8917-b09fb984affa | mp-1246932 | Swap the spatial positions of atoms at indices 8 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba8HfBa19Hf2BaHfN24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 1afefaf1-5656-4362-997e-0e3997d6092e | mp-18398 | Swap the spatial positions of atoms at indices 8 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2V6Te4O24
_chemical_formula_sum "Cs2 V6 Te4 O24"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2V6OTe3O19TeO4
_chemical_formula_sum "Cs2 V6 O24 Te4"
_cell_length_a 7.27519056
_cell_length_b 7.27519056
_cell_length_c 11.869581
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000506
_space_group_name_H-M_... |
SwapAtomsAction | c7c9ef74-d589-4ee3-86b2-caf9d092c553 | mp-984755 | Swap the spatial positions of atoms at indices 29 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural NbONb6Ag4O17NbO4
_chemical_formula_sum "Nb8 O22 Ag4"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27... |
SwapAtomsAction | 9ef73b1c-3660-4306-bc69-d3a181e43ca4 | mp-2321 | 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 Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2GeTb4Ge9
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-... |
SwapAtomsAction | 333ddde7-72f2-4095-a4e3-023979846c03 | mp-1176767 | Swap the spatial positions of atoms at indices 40 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cu12P12O48
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_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 Li12Cu4OCu7P12O4CuO43
_chemical_formula_sum "Li12 Cu12 O48 P12"
_cell_length_a 18.617069
_cell_length_b 5.65504
_cell_length_c 8.472034
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | f7758b10-6989-483b-9de1-3844742d94cc | mp-1094347 | Swap the spatial positions of atoms at indices 5 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg5Ti6Mg
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_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... |
SwapAtomsAction | 40db76f2-b1e9-4189-a2bd-be5f27d19705 | mp-1215043 | Swap the spatial positions of atoms at indices 51 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Al12O72
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca6Al7OAl4O33AlO38
_chemical_formula_sum "Ca6 Al12 O72"
_cell_length_a 16.0686127
_cell_length_b 16.0686127
_cell_length_c 9.065298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name... |
SwapAtomsAction | 1bc68d1a-4ba4-4735-870e-3ceec82e2aee | mp-27888 | Swap the spatial positions of atoms at indices 3 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3O7GeO
_chemical_formula_sum "Zr3 O8 Ge1"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group... |
SwapAtomsAction | 28aa1840-5fcb-421f-b9bf-aa5a2b2202c8 | mp-28535 | Swap the spatial positions of atoms at indices 9 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se5O2SeO14
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_g... |
SwapAtomsAction | 4ea3e2e0-8800-486e-81fe-ecf5e4b2af20 | mp-556061 | Swap the spatial positions of atoms at indices 8 and 21 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 Cs4Sb4FSb3F9SbF34
_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_a... |
SwapAtomsAction | 55891f26-8b58-4df2-a01b-e52d3bcb1e82 | mp-1210964 | 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 Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 LuSLu10Cr4LuS23
_chemical_formula_sum "Lu12 S24 Cr4"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 81e29ef1-bb54-46db-bfdb-02ed3604904b | mp-1197082 | 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 Rb6Tm2S6O24
_chemical_formula_sum "Rb6 Tm2 S6 O24"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_group... | data_image0
_chemical_formula_structural Rb6OTmS6O6TmO17
_chemical_formula_sum "Rb6 O24 Tm2 S6"
_cell_length_a 9.41269635
_cell_length_b 9.41269635
_cell_length_c 9.43326427
_cell_angle_alpha 70.76036173
_cell_angle_beta 70.76036173
_cell_angle_gamma 109.51419768
_space_g... |
SwapAtomsAction | 694e0ab3-a5ef-42b7-bb69-d555ec37a741 | mp-759690 | Swap the spatial positions of atoms at indices 5 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H3FH12N4F8HF3
_chemical_formula_sum "Mn2 H16 F12 N4"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-... |
SwapAtomsAction | 4862bbab-2d6b-43b6-ac09-02d538e4929c | mp-561527 | Swap the spatial positions of atoms at indices 3 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb3PRb2Zr4P6RbP3S36
_chemical_formula_sum "Rb6 P10 Zr4 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_spa... |
SwapAtomsAction | c9678efe-54f2-4238-b87e-ec1ce2d516f8 | mp-1247313 | Swap the spatial positions of atoms at indices 29 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn12NZn3Ag4N9ZnN2
_chemical_formula_sum "Zn16 N12 Ag4"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_... |
SwapAtomsAction | 0d07cf7d-80ad-4a18-b846-f8eef3611838 | mp-1078810 | Swap the spatial positions of atoms at indices 8 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural ScAuSc2Sn2Au2ScAu
_chemical_formula_sum "Sc4 Au4 Sn2"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 75e90de4-3d46-41fe-965d-6f9d39c811c1 | mp-2452 | Swap the spatial positions of atoms at indices 3 and 6 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 P3O3PO7
_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... |
SwapAtomsAction | 020fe3f0-a414-40cc-b3e4-83fd07162306 | mp-1217691 | 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 Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb2AlDyAl5TbAl2
_chemical_formula_sum "Tb3 Al8 Dy1"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_spac... |
SwapAtomsAction | 324e1158-675e-4de8-a72b-7bd3d4b22324 | mp-770592 | Swap the spatial positions of atoms at indices 5 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn5OMn2P4O19Mn
_chemical_formula_sum "Mn8 O20 P4"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space... |
SwapAtomsAction | 277bcc71-7613-469b-a7fd-f1bd1de2fe93 | mp-1191832 | Swap the spatial positions of atoms at indices 18 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo7O9MoO3
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | fbb1ad3b-717e-4a17-9a27-908274578c2f | mp-759690 | Swap the spatial positions of atoms at indices 24 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H6FH9N4F2HF9
_chemical_formula_sum "Mn2 H16 F12 N4"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M... |
SwapAtomsAction | c525389a-a6f4-4084-ab59-3f556654ae21 | mp-1114234 | Swap the spatial positions of atoms at indices 3 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiFRhF5
_chemical_formula_sum "Na2 Li1 F6 Rh1"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
SwapAtomsAction | da3fe418-513b-4e5d-a82c-921ca7171791 | mp-1522855 | Swap the spatial positions of atoms at indices 7 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KEuZr4O12
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural KEuZr2OZrOZrO10
_chemical_formula_sum "K1 Eu1 Zr4 O12"
_cell_length_a 5.80215694
_cell_length_b 5.80215694
_cell_length_c 8.46359513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.6025642
_space_group_name_H-M_al... |
SwapAtomsAction | a2adefd7-e523-4f36-b265-d7065b5fc7a7 | mp-756505 | 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 Cs6Sc2O6
_chemical_formula_sum "Cs6 Sc2 O6"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural CsOCs4Sc2O2CsO3
_chemical_formula_sum "Cs6 O6 Sc2"
_cell_length_a 7.32418222
_cell_length_b 7.32418222
_cell_length_c 7.44391154
_cell_angle_alpha 83.170733
_cell_angle_beta 83.170733
_cell_angle_gamma 115.61349048
_space_group_nam... |
SwapAtomsAction | 314109a6-27a4-435e-86f4-7b4d93b4b8ef | mp-1189074 | 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 Rb4Al2O2F10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4AlOAlOF10
_chemical_formula_sum "Rb4 Al2 O2 F10"
_cell_length_a 6.39481619
_cell_length_b 6.394816189999999
_cell_length_c 7.635639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.4904225
_space_group_name_H-M_... |
SwapAtomsAction | 51ec92a7-282f-4a5d-a94b-6c6b36708453 | mp-1103522 | Swap the spatial positions of atoms at indices 10 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga10W4
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Ga5WGa5W3
_chemical_formula_sum "Ga10 W4"
_cell_length_a 9.179984
_cell_length_b 9.179984
_cell_length_c 2.734625
_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 | 4ad9d3d8-0344-43f3-b3c2-8f2b745456cf | mp-558805 | Swap the spatial positions of atoms at indices 45 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural NaONa10Nd4B8O21NaO2
_chemical_formula_sum "Na12 O24 Nd4 B8"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | b795a8eb-7ab5-40c6-a014-6163f7fd90fb | mp-1225453 | 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 Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er13Ag9ErAg42
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt ... |
SwapAtomsAction | 896a822f-d3d7-44ce-adef-61be894bc7fd | mp-573073 | Swap the spatial positions of atoms at indices 41 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu6FCu5F15CuF22
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SwapAtomsAction | 208d9caa-3410-4582-8b1a-3fba4c6b1901 | mp-1217937 | Swap the spatial positions of atoms at indices 13 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6FeBi9O27
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_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 Ti6FeBi6OBi2O13BiO13
_chemical_formula_sum "Ti6 Fe1 Bi9 O27"
_cell_length_a 6.095446
_cell_length_b 5.707039
_cell_length_c 19.800503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 9657e5c6-0bd2-4989-955f-7a6f99a97084 | mp-1200029 | Swap the spatial positions of atoms at indices 12 and 63 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co3P4H48N2O30
_chemical_formula_sum "Co3 P4 H48 N2 O30"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Co3P4H5OH42N2O6HO23
_chemical_formula_sum "Co3 P4 H48 O30 N2"
_cell_length_a 6.19672752
_cell_length_b 7.041263
_cell_length_c 17.78336569
_cell_angle_alpha 101.41846615
_cell_angle_beta 90.87874117
_cell_angle_gamma 90.0
_space_gr... |
SwapAtomsAction | af7d5857-4dbb-453f-89e0-7aceb05dfed6 | mp-1047132 | 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 Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag2OAgO3AgO4
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
... |
SwapAtomsAction | 447b55ba-9002-48de-8404-e6c159af56ef | mp-1214431 | 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 CdSn3F6
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
_space... | data_image0
_chemical_formula_structural CdSnFSnF3SnF2
_chemical_formula_sum "Cd1 Sn3 F6"
_cell_length_a 11.630125
_cell_length_b 11.66003966
_cell_length_c 20.736229490000003
_cell_angle_alpha 95.93458659999999
_cell_angle_beta 92.58664804
_cell_angle_gamma 119.17874084
... |
SwapAtomsAction | f04dda3f-68ec-469b-af30-bcafcdb0cfb2 | mp-722910 | Swap the spatial positions of atoms at indices 26 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K2NKB12H10KNO4
_chemical_formula_sum "K4 N2 B12 H10 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt... |
SwapAtomsAction | 65aeb9ee-85d9-4327-b8d6-d265707ba7fd | mp-1194576 | Swap the spatial positions of atoms at indices 15 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb12Sb8Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb10SbRbSb3RbSb4Br36
_chemical_formula_sum "Rb12 Sb8 Br36"
_cell_length_a 7.68782753
_cell_length_b 13.69578094
_cell_length_c 19.48151806
_cell_angle_alpha 89.05068551
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 8d04807f-6323-455a-89fb-6939a6411a88 | mp-779404 | Swap the spatial positions of atoms at indices 58 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Cr8As12O48
_chemical_formula_sum "Li12 Cr8 As12 O48"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Li3OLi8Cr8As12O26LiO21
_chemical_formula_sum "Li12 O48 Cr8 As12"
_cell_length_a 10.51052944
_cell_length_b 10.51052944
_cell_length_c 10.51052944
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.471... |
SwapAtomsAction | 115a7ece-4a0a-4851-9db9-ce9651985129 | mp-29817 | Swap the spatial positions of atoms at indices 8 and 72 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 Ga8IP15I48PI23
_chemical_formula_sum "Ga8 I72 P16"
_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"
_s... |
SwapAtomsAction | a334b9a7-53aa-4274-97db-8eb36ef52949 | mp-763831 | Swap the spatial positions of atoms at indices 9 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9MnLi6MnLiO8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name... |
SwapAtomsAction | c41ff3c5-ccd4-4c7e-a123-7659da632e6f | mp-758458 | Swap the spatial positions of atoms at indices 19 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P11OP4O13PO34
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | 4ef196a1-61ec-4eea-8fbe-a59253bd95e2 | mp-1028186 | Swap the spatial positions of atoms at indices 4 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaCaMg14
_chemical_formula_sum "Na1 Ca1 Mg14"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaMg3CaMg11
_chemical_formula_sum "Na1 Mg14 Ca1"
_cell_length_a 6.57203517
_cell_length_b 6.55068295
_cell_length_c 10.53355028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.89258933
_space_group_name_H-M_alt ... |
SwapAtomsAction | 8951b719-aeb9-438f-9100-b47706b12a33 | mp-1225618 | Swap the spatial positions of atoms at indices 17 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er2Ga6Cu11
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.56991377... | data_image0
_chemical_formula_structural Er2Ga3CuGa2Cu9GaCu
_chemical_formula_sum "Er2 Ga6 Cu11"
_cell_length_a 6.56066199
_cell_length_b 6.560661990000001
_cell_length_c 6.5606616
_cell_angle_alpha 83.56990939999999
_cell_angle_beta 83.56990939999999
_cell_angle_gamma 83.... |
SwapAtomsAction | 66f5f6e6-c6c7-4dfa-a71c-3b6d351e4db3 | mp-22781 | Swap the spatial positions of atoms at indices 16 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn3OMn4Ge4O4MnO11
_chemical_formula_sum "Mn8 O16 Ge4"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_n... |
SwapAtomsAction | 26e854b2-b833-4a14-9781-d916904127cc | mp-1215240 | 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 Zr4Ti4Pd4
_chemical_formula_sum "Zr4 Ti4 Pd4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr3PdTi4PdZrPd2
_chemical_formula_sum "Zr4 Pd4 Ti4"
_cell_length_a 5.3695121
_cell_length_b 5.48048527
_cell_length_c 8.698884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.66137671999999
_space_group_name_H-M_... |
SwapAtomsAction | d735ce4b-e3db-4889-bca6-c06f6be11253 | mp-1219272 | Swap the spatial positions of atoms at indices 34 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural FeSm3CrFe29SmFe3C4
_chemical_formula_sum "Fe33 Sm4 Cr1 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_spac... |
SwapAtomsAction | 5fa11739-142e-4b53-91fa-7195e2be1b81 | mp-1033845 | 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 Mg14BCO16
_chemical_formula_sum "Mg14 B1 C1 O16"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_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 MgOMg12BCO9MgO6
_chemical_formula_sum "Mg14 O16 B1 C1"
_cell_length_a 8.50440118
_cell_length_b 8.50440118
_cell_length_c 4.19993262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 10de14a1-f9e6-45a0-8e6a-86e0f6b0e7fb | mp-558208 | Swap the spatial positions of atoms at indices 13 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As5OAs2O3AsO24
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.7309106000000... |
SwapAtomsAction | 1ed0ba43-fcb1-4c0d-ad7e-4534ab55804a | mp-771733 | Swap the spatial positions of atoms at indices 7 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV3OV4O12VO3
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_g... |
SwapAtomsAction | 6e6efb37-d81c-49c1-a532-d3ace0326aaa | mp-1073003 | 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 Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg4SiMg3SiMgSi10
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_... |
SwapAtomsAction | f4ec9663-9ed0-42a1-88b5-bf4abbe8fe4e | mp-542864 | Swap the spatial positions of atoms at indices 31 and 51 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ni2H24S4O28
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Na4Ni2H24SOS2O17SO10
_chemical_formula_sum "Na4 Ni2 H24 S4 O28"
_cell_length_a 11.998646
_cell_length_b 6.011579
_cell_length_c 8.8819732
_cell_angle_alpha 76.01844686
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 15781ccb-5293-4c6d-ba30-b8d8edffc05f | mp-554739 | Swap the spatial positions of atoms at indices 19 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I4Cl3FO8F5ClF18
_chemical_formula_sum "C12 I4 Cl4 F24 O8"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | ea1ada97-9a4e-4c2d-a4ef-bdfabb4c7d02 | mp-557497 | Swap the spatial positions of atoms at indices 0 and 53 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural OPr3Nb22O27PrO32
_chemical_formula_sum "O60 Pr4 Nb22"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H... |
SwapAtomsAction | 965c48af-dbdf-4da0-aecd-45c0a8781d58 | mp-755663 | Swap the spatial positions of atoms at indices 6 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb2OPbO8PbO5
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_... |
SwapAtomsAction | 8825fa7c-4084-48ee-951a-6723e85c2550 | mp-1331651 | Swap the spatial positions of atoms at indices 6 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn2OV3Sb2O13MnO2
_chemical_formula_sum "Li4 Mn3 O16 V3 Sb2"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_spa... |
SwapAtomsAction | 7753d1ce-e0fb-4ee5-a330-72e80ddce379 | mp-27382 | Swap the spatial positions of atoms at indices 8 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8FTl7F24TlF15
_chemical_formula_sum "U8 F40 Tl8"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e86421cf-9b74-449a-a043-c9f096ce3641 | mp-1046963 | 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 BaZnCu4O8
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural BaZnCu3O4CuO4
_chemical_formula_sum "Ba1 Zn1 Cu4 O8"
_cell_length_a 5.30967127
_cell_length_b 5.309671269999999
_cell_length_c 7.156594
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999096
_space_group_name_H... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.