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 | 327054e9-2789-422b-8c29-c4d1df92a6a7 | mp-861170 | Swap the spatial positions of atoms at indices 11 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... | data_image0
_chemical_formula_structural Ti5Fe6OFe4O10FeO13
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.9148406... |
SwapAtomsAction | a0f06450-d9a2-4591-943c-bafe8ba75670 | mp-1359845 | Swap the spatial positions of atoms at indices 22 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P5OP2O8PO19
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_g... |
SwapAtomsAction | 7e79238d-44bc-432f-a0ca-0406f91c14ee | mp-1173784 | Swap the spatial positions of atoms at indices 19 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... | data_image0
_chemical_formula_structural Na9Mg9AlOSi9O18SiO16
_chemical_formula_sum "Na9 Mg9 Al1 O35 Si10"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.0... |
SwapAtomsAction | 3cb55ce6-d68b-454a-a071-f98d514a522a | mp-1097054 | Swap the spatial positions of atoms at indices 34 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce4OCe3Fe4O18CeO5
_chemical_formula_sum "K4 Ce8 O24 Fe4"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | d556d861-5a23-4a44-bca3-54b9442e8511 | mp-1227649 | 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 Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... | data_image0
_chemical_formula_structural Ca4OSe7O4SeO17
_chemical_formula_sum "Ca4 O22 Se8"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
... |
SwapAtomsAction | be5fe2fa-5751-4f0f-86fa-d54e4673c149 | mp-767412 | 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 Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural CoLi2Co2LiCoS8
_chemical_formula_sum "Co4 Li3 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_... |
SwapAtomsAction | b7416917-0a4b-4866-a85a-e9409e12148b | mp-1193190 | 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 K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K3CrKCr5O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1395144c-7c2c-438b-8939-6f6a389088b5 | mp-1246736 | 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 Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn4VMnVMnN6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt ... |
SwapAtomsAction | 911ab0a3-9aee-4b93-bc88-a1061aada1f4 | mp-1246871 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... | data_image0
_chemical_formula_structural Dy2MgSMn2S7Mg
_chemical_formula_sum "Dy2 Mg2 S8 Mn2"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_spac... |
SwapAtomsAction | 52907222-9f66-443b-a42b-9aed3eec3a31 | mp-1213897 | Swap the spatial positions of atoms at indices 12 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca3OW4O4CaO3
_chemical_formula_sum "Ca4 O8 W4"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_na... |
SwapAtomsAction | e0915e61-7b18-4fba-a54a-07b635bb1a52 | mp-1208000 | Swap the spatial positions of atoms at indices 14 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... | data_image0
_chemical_formula_structural Tm2CuOGe3O7GeO4
_chemical_formula_sum "Tm2 Cu1 O12 Ge4"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_gr... |
SwapAtomsAction | 70ab3039-dc35-46f1-980b-9bdd10baab32 | mp-651997 | Swap the spatial positions of atoms at indices 32 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe11OGe8O12FeO19
_chemical_formula_sum "Fe12 O32 Ge8"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | d02f0635-7353-4838-9800-3454116eb1f8 | mp-861612 | 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 Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P2OPO6PO9
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 583f4e08-4779-41c4-9135-063537e48fb3 | mp-771136 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4OSe5O7SeO16
_chemical_formula_sum "Ho4 O24 Se6"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_... |
SwapAtomsAction | 5480d2ba-d8d4-457e-96eb-f85f89751df7 | mp-1650920 | Swap the spatial positions of atoms at indices 2 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrLaOLa2Cr5O9LaO5
_chemical_formula_sum "Sr1 La4 O15 Cr5"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma ... |
SwapAtomsAction | c50214b1-0578-47b1-b8b9-6d174807430d | mp-754097 | 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 Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural LiFeLi7Fe3B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_spa... |
SwapAtomsAction | b60d7d53-2f7e-4042-a5c6-6596ed20ed50 | mp-760314 | Swap the spatial positions of atoms at indices 26 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6OFO3F15OF3
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spac... |
SwapAtomsAction | 8b4896ba-2f7f-4b66-9111-76bc0a3c3f5f | mp-569364 | Swap the spatial positions of atoms at indices 44 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... | data_image0
_chemical_formula_structural Be21ReBe23Re
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984... |
SwapAtomsAction | 787c770c-b238-4634-be1c-d815c211e144 | mp-1045008 | Swap the spatial positions of atoms at indices 3 and 0 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 WBaAlBaW2O7
_chemical_formula_sum "W3 Ba2 Al1 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 | 9df0302c-2045-4534-a288-e77e4fa45eb7 | mp-1239200 | Swap the spatial positions of atoms at indices 36 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr6SCr9S12CrS19
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 6ba636fe-4c0a-498f-ab33-d3510b080932 | mp-1209619 | Swap the spatial positions of atoms at indices 2 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb2FBiF2RbF3
_chemical_formula_sum "Rb3 F6 Bi1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_g... |
SwapAtomsAction | d5d0b228-b840-4892-a53f-ee8e84b75dcd | mp-1643264 | Swap the spatial positions of atoms at indices 38 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... | data_image0
_chemical_formula_structural Li8Co3OCo6Sn2O18CoO5
_chemical_formula_sum "Li8 Co10 O24 Sn2"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.1097... |
SwapAtomsAction | df6b36e1-d94c-477f-9876-c9bf4c2d1f23 | mp-3824 | Swap the spatial positions of atoms at indices 13 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta8SNi2S2TaS3
_chemical_formula_sum "Ta9 S6 Ni2"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt ... |
SwapAtomsAction | c351da73-783a-4245-a6a3-ae77566a4480 | mp-1305999 | Swap the spatial positions of atoms at indices 7 and 9 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 Li3TiNi3O2NiO6
_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 90.4549273399999... |
SwapAtomsAction | 5e148bc7-29ae-4ecb-8ea7-5aca7d5a688b | mp-673347 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural NbHNb2H3NbO12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_na... |
SwapAtomsAction | e2b4f089-10c7-4802-8a13-31c701e580b6 | mp-1246950 | Swap the spatial positions of atoms at indices 0 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural C4MnC4N6
_chemical_formula_sum "C8 Mn1 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_s... |
SwapAtomsAction | fe7574bb-a560-4750-a7f6-76fa552dfe48 | mp-2223637 | Swap the spatial positions of atoms at indices 0 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural OFeCo2O3MgO2
_chemical_formula_sum "O6 Fe1 Co2 Mg1"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group... |
SwapAtomsAction | d7a42eb0-834d-44d3-8fc6-7e2213cac53a | mp-27442 | Swap the spatial positions of atoms at indices 15 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb3ICr4I7RbI4
_chemical_formula_sum "Rb4 I12 Cr4"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_... |
SwapAtomsAction | 5d4f1f25-de4c-4a6c-aa9d-4474d4a2b731 | mp-1202130 | Swap the spatial positions of atoms at indices 17 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se6OSeOSeO30
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | b6a813e1-f8c1-4b96-97ac-dd52da3d506f | mp-1200198 | Swap the spatial positions of atoms at indices 13 and 45 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu5OCu2P8S4O17CuO50
_chemical_formula_sum "Cd8 Cu8 O68 P8 S4"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | b1a5af06-7cd3-4917-a540-53a3dbe4a202 | mp-1101922 | 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 Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu2FeEuFe3EuFe4
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 134ef461-f3ae-4da0-891a-52a590ea4e01 | mp-1232290 | 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 Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... | data_image0
_chemical_formula_structural CuFCuSbF4CuF7
_chemical_formula_sum "Cu3 F12 Sb1"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group... |
SwapAtomsAction | 9d6a6970-5aee-4642-8fbd-1b49cde5bef1 | mp-753615 | Swap the spatial positions of atoms at indices 8 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O2FO2F3
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_grou... |
SwapAtomsAction | b42cde3c-0edc-408b-b390-abe962cc9153 | mp-1275970 | 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 BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... | data_image0
_chemical_formula_structural BaLaMnO6Mn
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... |
SwapAtomsAction | 45e74dc0-dd90-4edb-b90d-7d9926ad342d | mp-1102140 | 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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd2IrNdSi4Ir2NdIr
_chemical_formula_sum "Nd4 Ir4 Si4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 3fbc062b-b1f3-402a-857b-f8e175dc31e0 | mp-17426 | 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 Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 Er3OEr4W4O3ErO20
_chemical_formula_sum "Er8 O24 W4"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 4b8aacd7-81cd-4297-b791-ff3007ee2e68 | mp-557730 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2POP4O5PO12
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_s... |
SwapAtomsAction | b60d695e-5456-4e15-9383-731bddad9350 | mp-1400415 | Swap the spatial positions of atoms at indices 1 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 BaOTi3O6BaO
_chemical_formula_sum "Ba2 O8 Ti3"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
SwapAtomsAction | 53b984e7-703b-431b-94ba-2df1fc376842 | mp-1196630 | Swap the spatial positions of atoms at indices 23 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb5S17SbS9N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
SwapAtomsAction | 85bce5e6-f90b-4373-89d6-e9352131e638 | mp-541221 | Swap the spatial positions of atoms at indices 17 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H11ON12O13HO16
_chemical_formula_sum "Ba6 H12 O30 N12"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_g... |
SwapAtomsAction | 7a83469b-9b47-4636-a730-5c8494d67660 | mp-770938 | Swap the spatial positions of atoms at indices 22 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... | data_image0
_chemical_formula_structural Li6OVP2C2O10VO3
_chemical_formula_sum "Li6 O14 V2 P2 C2"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981... |
SwapAtomsAction | 677dd9ba-1b20-45e8-9cc3-89dafc0c7030 | mp-1043245 | Swap the spatial positions of atoms at indices 4 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge2OGeO9GeO2
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365... |
SwapAtomsAction | 4e11213d-6f84-42c1-a780-082f37751973 | mp-705680 | Swap the spatial positions of atoms at indices 4 and 25 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 La4OMo3O17Mo
_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 87.76302988999998... |
SwapAtomsAction | ea644fa0-eede-41b6-ac14-9ca8f2b7d2f1 | mp-1233377 | 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 Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... | data_image0
_chemical_formula_structural Gd6MgOInO6InO5
_chemical_formula_sum "Gd6 Mg1 O12 In2"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.751061... |
SwapAtomsAction | 15284722-42ef-477a-9837-b9ef40396803 | mp-1221029 | Swap the spatial positions of atoms at indices 0 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural OPr9Ge6O9NaO16
_chemical_formula_sum "O26 Pr9 Ge6 Na1"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_... |
SwapAtomsAction | 91b09c67-2579-4299-9873-ff3751eb010e | mp-1220828 | Swap the spatial positions of atoms at indices 74 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb11ONb4Pb12O46NbOF8
_chemical_formula_sum "Nb16 O48 Pb12 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_gro... |
SwapAtomsAction | 8d78dca1-b7be-4f57-865a-4b4f2e105a4d | mp-988945 | 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 Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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_numb... | data_image0
_chemical_formula_structural Al5AsAl2As2AlAs5
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_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... |
SwapAtomsAction | 97c06075-041d-473d-b9a7-41f34075cb2c | mp-559820 | Swap the spatial positions of atoms at indices 2 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural La2OLaS4Cl4O8LaO7
_chemical_formula_sum "La4 O16 S4 Cl4"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 5998a28e-605c-459a-a92f-17566f4e88c7 | mp-1235973 | Swap the spatial positions of atoms at indices 4 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY3Ag3YAgO12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-... |
SwapAtomsAction | 69c5c127-000c-4ab5-8042-e2d4148a3afd | mp-1211929 | Swap the spatial positions of atoms at indices 51 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 OK7Te4Mo8P8O23KO32
_chemical_formula_sum "O56 K8 Te4 Mo8 P8"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 77f96f91-d721-4ff7-8391-bb943052e1d7 | mp-775903 | Swap the spatial positions of atoms at indices 11 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn3OP8O20MnO7
_chemical_formula_sum "Li8 Mn4 O28 P8"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_... |
SwapAtomsAction | d49c8bb6-2b39-497f-bdec-4d18aa047303 | mp-1175049 | Swap the spatial positions of atoms at indices 4 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... | data_image0
_chemical_formula_structural Li4OLi2Mn2Co3LiO11
_chemical_formula_sum "Li7 O12 Mn2 Co3"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.5567270899... |
SwapAtomsAction | 9f544cb2-5d5e-4512-97e8-2361ce81750a | mp-1181826 | 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 CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... | data_image0
_chemical_formula_structural CoPCuPO7
_chemical_formula_sum "Co1 P2 Cu1 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... |
SwapAtomsAction | af528aad-26d3-4ddc-b6ad-8e633ec08724 | mp-680301 | Swap the spatial positions of atoms at indices 9 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K9OK14As8O11KO20
_chemical_formula_sum "K24 O32 As8"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_... |
SwapAtomsAction | efd0f8b0-a7d8-4b40-9409-3490a42c158c | mp-1250606 | Swap the spatial positions of atoms at indices 31 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4OAlH20Cl2O3AlO12
_chemical_formula_sum "Ca4 O16 Al2 H20 Cl2"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma ... |
SwapAtomsAction | 1c78131b-6ca9-4f89-8920-4d6b222520c5 | mp-2220594 | Swap the spatial positions of atoms at indices 5 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... | data_image0
_chemical_formula_structural MgTl4OV3Te4O6VO13
_chemical_formula_sum "Mg1 Tl4 O20 V4 Te4"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.... |
SwapAtomsAction | 1299a4fb-e1bb-40e0-bd83-36d651bd6e77 | mp-1197601 | Swap the spatial positions of atoms at indices 5 and 70 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... | data_image0
_chemical_formula_structural Rb4MgOFe7H6Se16O35FeO14
_chemical_formula_sum "Rb4 Mg1 O50 Fe8 H6 Se16"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212... |
SwapAtomsAction | 1a609fa3-f8d9-49c9-a1b0-6783be65c9c8 | mp-561165 | Swap the spatial positions of atoms at indices 16 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi10OBiO17BiO12
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_al... |
SwapAtomsAction | 7e21235b-512a-4f03-a0bb-03a7817fcac5 | mp-1203661 | Swap the spatial positions of atoms at indices 12 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb7FRb2Cr5F26RbF3
_chemical_formula_sum "K5 Rb10 F30 Cr5"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.354697... |
SwapAtomsAction | b015fe84-1ce6-4924-b2f6-4d00474ebbd3 | mp-1095470 | 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 Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Eu2GeEuZn2Ge3EuGe2
_chemical_formula_sum "Eu4 Ge6 Zn2"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_na... |
SwapAtomsAction | 6a4f7908-21db-4987-9c89-2193334f8af0 | mp-1569720 | Swap the spatial positions of atoms at indices 9 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural LiNiLi2Si4NiLiO12
_chemical_formula_sum "Li4 Ni2 Si4 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.51... |
SwapAtomsAction | f2b61902-cc31-46bd-b254-9fb23066a92a | mp-1227442 | Swap the spatial positions of atoms at indices 2 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2H3BO5
_chemical_formula_sum "Be2 H3 B1 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... |
SwapAtomsAction | 4e2bc41d-acf3-4df7-97b1-52d91b856148 | mp-1044415 | 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 Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Ni4OBi3O19Bi
_chemical_formula_sum "Mg4 Ni4 O20 Bi4"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | a7f2d78e-0ee0-41fb-8ce0-8d6b8496e957 | mp-779083 | 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 Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3O5SnO3
_chemical_formula_sum "Li2 V3 O8 Sn1"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_n... |
SwapAtomsAction | 98b2da5a-0b3b-4c34-9667-017d81ca52f8 | mp-600078 | Swap the spatial positions of atoms at indices 39 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si7OSi10O21SiO14
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.0919633399999... |
SwapAtomsAction | fb5d40f6-8d7d-497d-a9ba-83c76175f2e4 | mp-1225820 | Swap the spatial positions of atoms at indices 4 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3GaNiGa6Ni2Ga
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_spac... |
SwapAtomsAction | 16e4da48-db78-4d9e-9481-12b262aca625 | mp-1215852 | Swap the spatial positions of atoms at indices 7 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_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 YbEuSi3Au2SiAu2
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e9c93bb8-dce0-4098-9483-392d16d63d00 | mp-1290584 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... | data_image0
_chemical_formula_structural Li3OV6Sn2OLiO14
_chemical_formula_sum "Li4 O16 V6 Sn2"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_... |
SwapAtomsAction | 896263a7-68b7-4338-b197-30f2db620225 | mp-1044904 | Swap the spatial positions of atoms at indices 28 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2WOW11O7WO20
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.1... |
SwapAtomsAction | 851a42ba-dd7f-4ea2-a8ef-074afe2d9215 | mp-1196873 | Swap the spatial positions of atoms at indices 27 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er5GeCo8Ge13ErGe12
_chemical_formula_sum "Er6 Ge26 Co8"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 57a7e56d-236e-4fad-b7ff-024a482b24b8 | mp-2231769 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2SeOSe2O3SeO8
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_... |
SwapAtomsAction | 1b481be3-efda-416b-9956-d78798f11b30 | mp-1209619 | 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 Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb2FBiF2RbF3
_chemical_formula_sum "Rb3 F6 Bi1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_g... |
SwapAtomsAction | 1ef5e955-a75b-43b1-9d6a-9bfbc80b02c4 | mp-780652 | Swap the spatial positions of atoms at indices 23 and 53 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P9OP6O23PO34
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580... |
SwapAtomsAction | 8b214f46-f9cd-4f44-9490-f357cac116c8 | mp-17986 | 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 Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 Ti3Tl6TiTl2O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 72d5421a-660d-4cd2-a861-040ea0452b6e | mp-759739 | Swap the spatial positions of atoms at indices 12 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural VFV4O3F3VF11
_chemical_formula_sum "V6 F15 O3"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 106ace0f-182b-4935-a2c3-b1790aac9f1f | mp-1198663 | Swap the spatial positions of atoms at indices 11 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li3NH24N3LiN8
_chemical_formula_sum "K8 Li4 N12 H24"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 9c96e1bb-7ce1-4cb8-b62c-265e52d0e68b | mp-985591 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural LiSLi4PLiS4Br
_chemical_formula_sum "Li6 S5 P1 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
SwapAtomsAction | 154c8756-7eb9-4f76-93a3-1b898360f3ba | mp-753615 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn2O4MnF4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group... |
SwapAtomsAction | cd5e328a-7b59-41df-84b9-92d507e9cb58 | mp-3887 | Swap the spatial positions of atoms at indices 40 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24GaNGa6N8GaN7
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
SwapAtomsAction | 2c39cae7-8853-45fa-9a5e-62e51108c5ef | mp-17235 | Swap the spatial positions of atoms at indices 1 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural SmOSm6Si8O10SmO17
_chemical_formula_sum "Sm8 O28 Si8"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_grou... |
SwapAtomsAction | 308bc419-4b1e-4b10-ade3-c65614ad63cd | mp-1213955 | Swap the spatial positions of atoms at indices 25 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd2OCdN4O17CdO2
_chemical_formula_sum "Cd4 O20 N4"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | f6dfe952-a232-45ca-a536-47f0298b3e52 | mp-1201551 | Swap the spatial positions of atoms at indices 0 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... | data_image0
_chemical_formula_structural SZnSb8H36SZnS12N12
_chemical_formula_sum "S14 Zn2 Sb8 H36 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_ga... |
SwapAtomsAction | 92b72f55-6ae5-4ba0-ae1f-007054edea67 | mp-1522623 | 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 BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 OCaNi4O2BaO9
_chemical_formula_sum "O12 Ca1 Ni4 Ba1"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | b630ffd6-8177-483e-9c4a-36d388d27d70 | mp-559041 | 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 Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural TlClMo4Cl6TlCl7O4
_chemical_formula_sum "Tl2 Cl14 Mo4 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space... |
SwapAtomsAction | ca6163d4-68e2-4b6c-a1cd-df32a2188fbf | mp-11677 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... | data_image0
_chemical_formula_structural SrAsSr4Si4SrAs7
_chemical_formula_sum "Sr6 As8 Si4"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_s... |
SwapAtomsAction | 654dbc79-8613-4115-8e25-ae4d4dcb922e | mp-11609 | 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 Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural MoSbMo2SbMoS4
_chemical_formula_sum "Mo4 Sb2 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e8e6a4f5-886d-49d9-90a7-ad8384802f63 | mp-1245768 | Swap the spatial positions of atoms at indices 4 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Mg4NCd2N3
_chemical_formula_sum "Mg4 N4 Cd2"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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... |
SwapAtomsAction | 872c4cc7-8496-45c8-bbfc-89a85d789b31 | mp-1212370 | Swap the spatial positions of atoms at indices 22 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 Ho4RhHo7Ge8Rh2HoRh5
_chemical_formula_sum "Ho12 Rh8 Ge8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 11084ca4-d987-42ea-9e90-ea3816d13122 | mp-1213000 | Swap the spatial positions of atoms at indices 23 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2OAgW4O15Ag
_chemical_formula_sum "Eu2 O16 Ag2 W4"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_spac... |
SwapAtomsAction | ca17a741-adaa-40c3-9b55-c6f4ee5e7f7e | mp-1195825 | Swap the spatial positions of atoms at indices 19 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si10BrSiBr7SiBr16
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999... |
SwapAtomsAction | 1615efbb-eb0e-469d-ad7e-09c1a2abaf78 | mp-4647 | 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 K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu3SeCu4Se5Cu
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_spac... |
SwapAtomsAction | 74eea1a7-16eb-4be3-967d-7c9292ea53cc | mp-26100 | Swap the spatial positions of atoms at indices 63 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural OBi7P12O43BiO4
_chemical_formula_sum "O48 Bi8 P12"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | aaa0bacf-3037-4dda-91f2-2b0e6255bb3d | mp-752777 | Swap the spatial positions of atoms at indices 3 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... | data_image0
_chemical_formula_structural Li3CoFe3LiO8
_chemical_formula_sum "Li4 Co1 Fe3 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005... |
SwapAtomsAction | 8c365b12-4205-43db-8253-a2a9e8f7d795 | mp-1177332 | 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 Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... | data_image0
_chemical_formula_structural Li2MnLi2Fe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066... |
SwapAtomsAction | 0fb893c0-6cca-4ebe-8489-5fd972833d78 | mp-1516486 | 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 SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... | data_image0
_chemical_formula_structural SrNdNiO3BiO3
_chemical_formula_sum "Sr1 Nd1 Ni1 O6 Bi1"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60... |
SwapAtomsAction | e69315e6-cf94-428c-a3bd-b313af50eda1 | mp-9481 | Swap the spatial positions of atoms at indices 0 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... | data_image0
_chemical_formula_structural STc3S6TcS
_chemical_formula_sum "S8 Tc4"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_nam... |
SwapAtomsAction | de65a641-67db-480b-8965-dbc64bed975a | mp-1346690 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P3OPO13
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_n... |
SwapAtomsAction | 0c046e5f-d4bf-4425-9068-c83d9c4ac519 | mp-1191000 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu4NiEuSi4Ni7EuNi4
_chemical_formula_sum "Eu6 Ni12 Si4"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
SwapAtomsAction | 61864acc-34e0-4aa6-861f-5c9e8be82d35 | mp-1102507 | 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 Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Nd2MnNdMn3NdMn4
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 9f8665fc-7296-4cdc-af13-a0c6b22d6f41 | mp-28408 | Swap the spatial positions of atoms at indices 11 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4ClTc3Cl3TcCl8
_chemical_formula_sum "K4 Cl12 Tc4"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.290123829... |
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