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 | 7a123a27-7ea7-4efa-966c-fb73e04c8bbb | mp-22781 | Swap the spatial positions of atoms at indices 17 and 1 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 MnOMn6Ge4O5MnO10
_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_na... |
SwapAtomsAction | f9f80b1b-e72b-4430-81ed-8b7cd631f5b5 | mp-608777 | Swap the spatial positions of atoms at indices 2 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2AsIn3As3In
_chemical_formula_sum "Eu2 As4 In4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
... |
SwapAtomsAction | 506bb20d-cb0c-4d7d-9316-32fda68b1480 | mp-2232162 | 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 MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ONb4O3MgO6
_chemical_formula_sum "O10 Nb4 Mg1"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c4257790-3aee-46e3-9641-27da10abde96 | mp-760360 | Swap the spatial positions of atoms at indices 15 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6ON3O5N
_chemical_formula_sum "Hf6 O6 N4"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 7b37e193-8c2f-473a-825a-26d24871413d | mp-1211110 | Swap the spatial positions of atoms at indices 46 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn8SOS10N8O18SO29
_chemical_formula_sum "Mn8 S12 O48 N8"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | b554798a-63bf-42fd-b33a-fbabe8d8b2f9 | mp-1653728 | Swap the spatial positions of atoms at indices 19 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li3CoLi10Co5LiCo4O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma ... |
SwapAtomsAction | 9990fd2b-62d8-45dc-9b32-5a43713b97cb | mp-1189578 | 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 V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V2NVN3VO12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 | a2a3024d-ffbe-4563-97e2-7576c9810205 | mp-30447 | Swap the spatial positions of atoms at indices 35 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd6BiCdBi9CdBi8
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158... |
SwapAtomsAction | 07614f06-3891-4561-8c54-0d340bf58f6d | mp-1027824 | Swap the spatial positions of atoms at indices 2 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg2VMg12Cu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_al... |
SwapAtomsAction | 8c47439c-790a-4246-b4c8-a71ce724db16 | mp-1028163 | Swap the spatial positions of atoms at indices 14 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg9AlMg5Bi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_na... |
SwapAtomsAction | ec945d04-9322-474e-b9de-f5b6560a5d80 | mp-1105882 | Swap the spatial positions of atoms at indices 15 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Tb4Sb5Rh6SbRh
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693... |
SwapAtomsAction | 08aac61a-142a-489b-9661-5b0a22475407 | mp-1217155 | Swap the spatial positions of atoms at indices 11 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti2STiS7TiN
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 3825f70f-833c-46df-a5e6-f3a364769d12 | mp-1195727 | Swap the spatial positions of atoms at indices 19 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SiK7Ca2U2Si7KO28
_chemical_formula_sum "Si8 K8 Ca2 U2 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1d69ad94-1dd4-45d6-b55d-7409e8edbf09 | mp-9107 | 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 Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2SZrCu2S4ZrS
_chemical_formula_sum "Na2 S6 Zr2 Cu2"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group... |
SwapAtomsAction | c473bf74-00dc-4c7c-8d56-281abf375613 | mp-1212178 | Swap the spatial positions of atoms at indices 61 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H24OH11S8O13HO34
_chemical_formula_sum "In4 H36 O48 S8"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 03ce0052-c421-4148-aa11-478c1430040e | mp-17822 | Swap the spatial positions of atoms at indices 15 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy5ODy2Mo4O3DyO20
_chemical_formula_sum "Dy8 O24 Mo4"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_spa... |
SwapAtomsAction | 17426c6d-ae8b-4489-973c-ff384bcb8e69 | mp-1181187 | Swap the spatial positions of atoms at indices 40 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural KOK6Mo2C8N8O14KO
_chemical_formula_sum "K8 O16 Mo2 C8 N8"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 23398d77-a47a-4f0d-a4e4-194f3fcfb5ed | mp-17461 | 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 Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4OP7O24PO3
_chemical_formula_sum "Na4 Ti4 O28 P8"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 8d5438d9-c47c-47e1-9f27-0bbcbbf3e8f3 | mp-1213024 | Swap the spatial positions of atoms at indices 3 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er3PtGe6Pt7ErPt10
_chemical_formula_sum "Er4 Pt18 Ge6"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_... |
SwapAtomsAction | 3053b8e6-7371-480c-9e1a-d6d8a4df6e60 | mp-1376216 | 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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg2OMgV8O5MgO10
_chemical_formula_sum "Mg4 O16 V8"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | 12ca37f0-c6e2-47d2-b526-64a50c8d1a6e | mp-1239174 | 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 Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural TiCuTi2Cr4CuTiCu2S16
_chemical_formula_sum "Ti4 Cu4 Cr4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a0367666-d634-4614-9c17-3e7e2943ebe7 | mp-1046918 | Swap the spatial positions of atoms at indices 10 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti3O3TiO5
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_grou... |
SwapAtomsAction | 3b58c17c-b9f6-4fe6-8367-cc6da9d8b2b9 | mp-1179245 | Swap the spatial positions of atoms at indices 23 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V4OVH12O5VO14
_chemical_formula_sum "V6 O20 H12"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_grou... |
SwapAtomsAction | c183d677-6043-48d5-9e6b-6d5f9ae9d966 | mp-1227202 | Swap the spatial positions of atoms at indices 21 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si4OSi3O8SiO15
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.80... |
SwapAtomsAction | cff79e62-4ddb-4f9d-ad4a-2d4988f718d1 | mp-1194797 | Swap the spatial positions of atoms at indices 9 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8HOH10Se4O18HO3
_chemical_formula_sum "Na8 H12 O22 Se4"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_spa... |
SwapAtomsAction | 120b67da-3a3a-40dd-92d1-56b612d4b0ee | mp-755879 | 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 Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe3FFe4O2F5FeF8
_chemical_formula_sum "Fe8 F14 O2"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.4560... |
SwapAtomsAction | a9e3a099-946b-420d-a2de-68b4d2e667f5 | mp-1225642 | Swap the spatial positions of atoms at indices 12 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al6SiAuSiAuSi
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma... |
SwapAtomsAction | 25a0cb87-87e4-4996-bce6-8b386e162bba | mp-1224446 | 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 Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf2FeTaFe2HfFe5
_chemical_formula_sum "Hf3 Fe8 Ta1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_spac... |
SwapAtomsAction | c70d04d8-153b-4d1a-9087-65bd91b975fa | mp-1111469 | 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 Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgCl6Au
_chemical_formula_sum "Rb2 Ag1 Cl6 Au1"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
SwapAtomsAction | f70feb73-0a3d-4025-b49f-700d712d1d67 | mp-34578 | 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 Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8YFY4F4YF29
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_na... |
SwapAtomsAction | 2713a38f-3ed2-4e59-a988-8172dbe96d3b | mp-1224145 | Swap the spatial positions of atoms at indices 54 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P7O31PO13
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 94a599a1-9f3c-4270-a507-1889f7bdcfde | mp-2715503 | Swap the spatial positions of atoms at indices 4 and 63 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na4ONa7Sc4Si4Ge4P8O31NaO16
_chemical_formula_sum "Na12 O48 Sc4 Si4 Ge4 P8"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90... |
SwapAtomsAction | 7c85f583-b3e1-48b5-9231-1cff96ccc036 | mp-1182686 | Swap the spatial positions of atoms at indices 57 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe3OFe2S6O45FeO14
_chemical_formula_sum "Fe6 O60 S6"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180... |
SwapAtomsAction | 21bd0bc7-5592-4a7c-bae8-0188c6911e5d | mp-558595 | Swap the spatial positions of atoms at indices 13 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6ORu2Cl2O2RuO9
_chemical_formula_sum "Ba6 O12 Ru3 Cl2"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name... |
SwapAtomsAction | d8b057a5-e7bb-480e-9e30-4af7e6222536 | mp-2241183 | 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 MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3O8SiO2
_chemical_formula_sum "Mg1 Nb3 O10 Si1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.5618138600000... |
SwapAtomsAction | bc4f8b4c-c1e3-4409-840d-202425679704 | mp-1193000 | 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 NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC2SCSCS2N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999... |
SwapAtomsAction | e9987e0f-43ad-43d1-bc35-f1705965d14b | mp-5626 | Swap the spatial positions of atoms at indices 8 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K8TeK3Sb4Te3KTe8
_chemical_formula_sum "K12 Te12 Sb4"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 0f569583-b2eb-4c14-ad22-e9cf63e93eab | mp-767632 | 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 V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P3O11PO5
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group... |
SwapAtomsAction | 17b13b99-e6ee-4531-b775-30de4114fe5e | mp-558805 | 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 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 Na12Nd2BNdBNdB6O24
_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_nam... |
SwapAtomsAction | 772ba0c6-4eb0-4950-93c0-18f588d2f0c9 | mp-1212178 | Swap the spatial positions of atoms at indices 15 and 81 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H11OH24S8O33HO14
_chemical_formula_sum "In4 H36 O48 S8"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 67b34c40-64fe-433e-8a1b-fdef72c0e84f | mp-1245513 | Swap the spatial positions of atoms at indices 22 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe15Te7FeTe5N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 | 9665faef-9240-4dc6-8728-3d14d5ed1b62 | mp-771733 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 VLi2MgV7LiO16
_chemical_formula_sum "V8 Li3 Mg1 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_grou... |
SwapAtomsAction | 97d76a04-a192-479b-847c-757303ab348e | mp-557497 | Swap the spatial positions of atoms at indices 2 and 79 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 Pr2OPrNb22O53PrO6
_chemical_formula_sum "Pr4 O60 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_... |
SwapAtomsAction | c7451142-8389-41cd-87b1-c1ee58cc1e68 | mp-1175308 | Swap the spatial positions of atoms at indices 19 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn5OMn4O15MnO8
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.7063259... |
SwapAtomsAction | db7c2ed1-ae75-4da3-ab92-dd3361396592 | mp-29802 | Swap the spatial positions of atoms at indices 7 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni3GeNi20Ge11NiGe12
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_gro... |
SwapAtomsAction | fde90055-3b38-47fd-81a9-b28fb33a97c4 | mp-766361 | Swap the spatial positions of atoms at indices 15 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb15ONb4O26NbO23
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group... |
SwapAtomsAction | 1435dea1-6a14-40b6-913d-d0533866b57d | mp-867658 | Swap the spatial positions of atoms at indices 15 and 52 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14MnOMn11O25MnO16
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100... |
SwapAtomsAction | b7c16e2d-d829-4905-ac8e-eb11a28eed2e | mp-759150 | Swap the spatial positions of atoms at indices 5 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li2VLiVLiV2O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_spac... |
SwapAtomsAction | 2311cfa4-b10d-4fd6-bf52-3586686fe4c7 | mp-1931800 | Swap the spatial positions of atoms at indices 6 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn6OMn6Si2Sb2O26MnO
_chemical_formula_sum "Mn13 O28 Si2 Sb2"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.008034... |
SwapAtomsAction | 74a3ebcd-514a-4ea2-9c79-da25c6b6ade4 | mp-770874 | Swap the spatial positions of atoms at indices 16 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4OPC8O7PO24
_chemical_formula_sum "Na12 Co4 O32 P2 C8"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
SwapAtomsAction | 40db2144-8a6c-4c1f-ac71-4a92dc0d47a4 | mp-766445 | Swap the spatial positions of atoms at indices 23 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural MnOMn6Co4O11MnO4
_chemical_formula_sum "Mn8 O16 Co4"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_... |
SwapAtomsAction | cf642d2e-7185-49af-a9e9-a89c39f26bc0 | mp-695305 | Swap the spatial positions of atoms at indices 47 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O23F8OF16
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_... |
SwapAtomsAction | 7782f745-073d-4abd-b991-3a0c651366b7 | mp-989647 | Swap the spatial positions of atoms at indices 12 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4ReNRe2N4ReN7
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | c71ca3fe-b520-46bf-b84f-eab8946060ee | mp-27382 | 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 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 U6FUTl8F5UF34
_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 | 97602f64-1815-4555-953a-9df5f394d707 | mp-558603 | Swap the spatial positions of atoms at indices 14 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si3OSi4O2SiO15
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space... |
SwapAtomsAction | 99d7c370-8f55-47ab-8c17-b869b6178754 | mp-29075 | Swap the spatial positions of atoms at indices 19 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga2ClGa3Bi10Cl3GaCl20
_chemical_formula_sum "Ga6 Cl24 Bi10"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.189401... |
SwapAtomsAction | 2793a846-e2fa-4ca0-b1f4-88185afc01c6 | mp-2228762 | Swap the spatial positions of atoms at indices 11 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K2ONaMgCr2O4KO3
_chemical_formula_sum "K3 O8 Na1 Mg1 Cr2"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_spac... |
SwapAtomsAction | 86ae655c-ffe5-43eb-b16b-d2f49ce3b9a6 | mp-1207958 | Swap the spatial positions of atoms at indices 8 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm4Zn3SnZnSn3
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt ... |
SwapAtomsAction | beb67fb7-8602-456c-998f-b07ccfaccdd5 | mp-1206107 | Swap the spatial positions of atoms at indices 6 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4PdCd2Pd3
_chemical_formula_sum "Ho4 Pd4 Cd2"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 | 0a8040b8-d6b5-4864-bcac-f700b86e98aa | mp-28179 | Swap the spatial positions of atoms at indices 12 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta2ClTaCl4TaCl19
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | d3f350ba-ca6d-4714-b8a6-511bc08573b2 | mp-1248873 | Swap the spatial positions of atoms at indices 18 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Al4Ni3O11NiO3
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.9999... |
SwapAtomsAction | 083c17b8-13d6-4e7a-81bb-5349902b8e9b | mp-1021689 | Swap the spatial positions of atoms at indices 12 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg12WV2W
_chemical_formula_sum "Mg12 W2 V2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 | 3add10f5-61a2-493a-9aeb-31fe4a62ce8d | mp-1196042 | Swap the spatial positions of atoms at indices 46 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H35NPt2N4HN7F12
_chemical_formula_sum "Na4 H36 N12 Pt2 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566... |
SwapAtomsAction | d5c8140c-7491-48ee-94e1-9647b7fd2b2c | mp-1096432 | Swap the spatial positions of atoms at indices 19 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce19SeCe4Se17CeSe30
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_spa... |
SwapAtomsAction | a3e2453a-99dc-4ff1-8491-791823365a22 | mp-3653 | 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 Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 MgOSb4O6MgO5
_chemical_formula_sum "Mg2 O12 Sb4"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 099fdcfa-9da5-4465-8cdf-13153c611c8b | mp-1220551 | Swap the spatial positions of atoms at indices 0 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural ONb3AgBi5O13NbO4
_chemical_formula_sum "O18 Nb4 Ag1 Bi5"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_... |
SwapAtomsAction | 6770afd0-ff5f-437c-9cb1-1a04898dd278 | mp-1246932 | Swap the spatial positions of atoms at indices 26 and 44 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 Ba26NBaHf4N12BaN11
_chemical_formula_sum "Ba28 N24 Hf4"
_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... |
SwapAtomsAction | f9077b13-b708-40d1-acc3-2bd3fd8c7b0b | mp-1225659 | 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 Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4NiAl4Ni3
_chemical_formula_sum "Er4 Ni4 Al4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt... |
SwapAtomsAction | b99da0ac-634a-4bd8-b045-c35f8b00525c | mp-1227615 | Swap the spatial positions of atoms at indices 0 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural CoCe3ZrCo10CeCo14
_chemical_formula_sum "Co25 Ce4 Zr1"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_s... |
SwapAtomsAction | 778e87f7-5cb2-4429-b4d1-77dc80626a92 | mp-554918 | 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 BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural Y5BaYSi3B6O24F2
_chemical_formula_sum "Y6 Ba1 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_gro... |
SwapAtomsAction | e1fd3058-9cd8-4684-99a1-e9a72bceceee | mp-17691 | Swap the spatial positions of atoms at indices 23 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12SbSSb2S7SbS4
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | bc195e83-bc86-4918-a3ba-5bbb473d4818 | mp-621667 | 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 Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu3AgEu2Ag3Eu
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | d7fa91fa-a120-4ae2-9792-e5f697195566 | mp-1019788 | Swap the spatial positions of atoms at indices 12 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al4OAlSi6O15AlO8
_chemical_formula_sum "K8 Al6 O24 Si6"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 91871b15-2ea5-44fd-ab87-fc381ef0f96b | mp-767632 | 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 V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4OP3OPO14
_chemical_formula_sum "V4 O16 P4"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group... |
SwapAtomsAction | 3b035eba-59a3-4584-ac34-8a288e3da5eb | mp-757805 | Swap the spatial positions of atoms at indices 21 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2P3OP4O9PO14
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 6a9b2380-ed50-4917-9639-9c1f782c545a | mp-765591 | Swap the spatial positions of atoms at indices 6 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li4Fe2OFeP4O12FeO3
_chemical_formula_sum "Li4 Fe4 O16 P4"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space... |
SwapAtomsAction | 10ccd43d-e2e5-4a33-a34a-6a806a510a71 | mp-571242 | Swap the spatial positions of atoms at indices 3 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb3ClRb4Co4Cl9RbCl6
_chemical_formula_sum "Rb8 Cl16 Co4"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 6cf216c2-94ea-45e1-b8d1-4742cbe92c1f | mp-1202898 | Swap the spatial positions of atoms at indices 0 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural OIn3As8N4O24InO3
_chemical_formula_sum "O28 In4 As8 N4"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.744698... |
SwapAtomsAction | feee3604-a390-44ee-9799-4f6f3aadff2a | mp-1098369 | Swap the spatial positions of atoms at indices 31 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiO8CrO24
_chemical_formula_sum "Mg30 Ti1 O32 Cr1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 1a67adbe-e3fc-4ae1-aa60-0542d9e876aa | mp-756331 | 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 Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li2TiLiTi2LiCo5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma ... |
SwapAtomsAction | 695615f4-cbb0-422e-9876-559a0f0628a5 | mp-1225219 | Swap the spatial positions of atoms at indices 11 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl4AuAl3SiAuAlAu2
_chemical_formula_sum "Eu1 Al8 Au4 Si1"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | c72741ae-5b02-4175-b37f-f835ee1d2fde | mp-753611 | Swap the spatial positions of atoms at indices 18 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P4Cl7OCl4O2ClO
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
SwapAtomsAction | 57bb21a3-b531-4176-9820-03439efaba5c | mp-567566 | Swap the spatial positions of atoms at indices 12 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7I5FeI7
_chemical_formula_sum "Ho7 I12 Fe1"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_g... |
SwapAtomsAction | bfb0aee5-4587-447e-a1f1-ef0de59c29eb | mp-28198 | Swap the spatial positions of atoms at indices 2 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb2IRb3In6I16RbI7
_chemical_formula_sum "Rb6 I24 In6"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_spa... |
SwapAtomsAction | ee595abb-ee8c-4dbe-b18d-56b493db80af | mp-758495 | Swap the spatial positions of atoms at indices 8 and 45 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8OCo7C8O21CoO6
_chemical_formula_sum "Li8 O28 Co8 C8"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 6fcf269e-8961-4cbd-87fd-544d53acbc52 | mp-22703 | Swap the spatial positions of atoms at indices 1 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural NiBNi14Ge4B2NiB3
_chemical_formula_sum "Ni16 B6 Ge4"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | aac54568-cfb6-4b74-bbde-8d370b4046f4 | mp-27413 | 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 Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo4PMo3PMoP3
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c09fb141-8586-47a5-8c5a-ae9ba804763e | mp-11639 | 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 Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb2GeRbGeRbS6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_sp... |
SwapAtomsAction | ef42d230-f4ae-4d50-a512-362347902c21 | mp-1216004 | 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 YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YB3ThB5Rh8
_chemical_formula_sum "Y1 B8 Th1 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 | dd09ff0b-93ab-49b2-85dd-823e3086f3f5 | mp-554501 | Swap the spatial positions of atoms at indices 21 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6ClO4ClO26
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H... |
SwapAtomsAction | cbe44ba9-1438-41a9-bcdf-d9616c64057e | mp-675818 | Swap the spatial positions of atoms at indices 12 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li8AsLi2TiLiAs4
_chemical_formula_sum "Li11 As5 Ti1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
SwapAtomsAction | 54dc01a5-915d-43cc-9e70-45111f3b868d | mp-25275 | 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 Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural OMn3O5MnO2
_chemical_formula_sum "O8 Mn4"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_na... |
SwapAtomsAction | 88c3edad-434a-4d07-af45-7a2c3e114bc1 | mp-561499 | 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 Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy3SDy2Cu2Sn2S2DyS11
_chemical_formula_sum "Dy6 S14 Cu2 Sn2"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_... |
SwapAtomsAction | 1eac7871-63e0-4d79-b60c-edb772a05307 | mp-554765 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSbF6SbF6
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_grou... |
SwapAtomsAction | b4f52282-c6ba-4318-af79-982587634c0c | mp-6268 | 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 K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti4OTi3P8O5TiO34
_chemical_formula_sum "K8 Ti8 O40 P8"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | eeec316d-9cd4-4e9d-8d90-1c8a6b56f5fa | mp-19459 | Swap the spatial positions of atoms at indices 4 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K4OK3Mg4V8O23KO4
_chemical_formula_sum "K8 O28 Mg4 V8"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 9e3bfbd4-45cf-4cb9-83bc-a830beeeab48 | mp-1040196 | Swap the spatial positions of atoms at indices 47 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg15OMg14BO15MgO16
_chemical_formula_sum "K1 Mg30 O32 B1"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 53cf772c-0942-4fe9-8bde-866562994bf9 | mp-1237028 | Swap the spatial positions of atoms at indices 2 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 K2HKGa4P8H5KH2
_chemical_formula_sum "K4 H8 Ga4 P8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_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 | 86c31e3f-5f42-471b-979a-b647ccee39e2 | mp-781617 | Swap the spatial positions of atoms at indices 5 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural MnLi5Mn5B6O18
_chemical_formula_sum "Mn6 Li5 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002... |
SwapAtomsAction | 4ce1b5c1-ab2e-4d0b-bcfe-d4c1c2a50fca | mp-1104546 | 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 Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B2MoB3Mo4BMo
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group... |
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