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 |
|---|---|---|---|---|---|
MoveTowardsAtomAction | 88116879-2fa0-4013-87c1-8b14100b642d | mp-24598 | Move the atom at index 13 towards the atom at index 61 by 0.611 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | d2fc106d-dd52-472f-9fae-2653e44732fe | mp-680754 | Move the atom at index 9 towards the atom at index 13 by 0.265 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 45d1229f-6d1a-46fc-9a51-c2239319837a | mp-753268 | Move the atom at index 9 towards the atom at index 14 by 2.91 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... | data_image0
_chemical_formula_structural Li6CuF8
_chemical_formula_sum "Li6 Cu1 F8"
_cell_length_a 5.83628149
_cell_length_b 5.836281490000001
_cell_length_c 5.98314077
_cell_angle_alpha 62.57039479000001
_cell_angle_beta 62.570394789999995
_cell_angle_gamma 58.72180139
_... |
MoveTowardsAtomAction | 35a7c53b-2c08-41c6-ab85-dfc76ed8bad9 | mp-1193899 | Move the atom at index 2 towards the atom at index 13 by 2.181 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... |
MoveTowardsAtomAction | 4dead39d-7f9b-4923-a7f9-cb2f7a153067 | mp-559593 | Move the atom at index 20 towards the atom at index 11 by 2.517 angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveTowardsAtomAction | 5a55c1a7-8f9c-4bd3-98d2-7a694d8faca3 | mp-757606 | Move the atom at index 9 towards the atom at index 8 by 0.251 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... |
MoveTowardsAtomAction | f23de0fc-cab6-4b26-91f6-45dae205c700 | mp-1040980 | Move the atom at index 20 towards the atom at index 43 by 0.553 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Mg4Cu8Bi8O32
_chemical_formula_sum "Mg4 Cu8 Bi8 O32"
_cell_length_a 8.571267
_cell_length_b 6.429923
_cell_length_c 13.771039649999999
_cell_angle_alpha 86.64248043000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveTowardsAtomAction | 217d9dcf-5d8d-4851-9678-b0d810de7e10 | mp-1227512 | Move the atom at index 9 towards the atom at index 14 by 1.95 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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_... |
MoveTowardsAtomAction | a6245a14-5c2c-4fc6-ba7a-667a3c338f1d | mp-779625 | Move the atom at index 67 towards the atom at index 37 by 2.164 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | bd85ec35-4ba8-4711-8920-767d88ced4f4 | mp-1356795 | Move the atom at index 7 towards the atom at index 28 by 2.598 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 56be9bfa-0e6d-44fe-a34d-11ca5deb7f00 | mp-1303460 | Move the atom at index 31 towards the atom at index 12 by 0.412 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... |
MoveTowardsAtomAction | 7b69cf9f-3b6d-430a-ae99-1aeb03a50f35 | mp-1198945 | Move the atom at index 19 towards the atom at index 4 by 2.064 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... | data_image0
_chemical_formula_structural Mg4B8H24
_chemical_formula_sum "Mg4 B8 H24"
_cell_length_a 7.779874
_cell_length_b 7.976890849999999
_cell_length_c 8.81460468
_cell_angle_alpha 92.17178982
_cell_angle_beta 93.77056033
_cell_angle_gamma 92.90075256
_space_group_na... |
MoveTowardsAtomAction | 726051c5-88a2-4474-b704-e4dcc82dc88b | mp-1331651 | Move the atom at index 27 towards the atom at index 23 by 1.591 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... |
MoveTowardsAtomAction | ff36b954-6a5f-439a-a8f3-83a92b444987 | mp-555792 | Move the atom at index 7 towards the atom at index 5 by 1.58 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | bbb186b8-10d3-4551-9e16-2899a546a9bc | mp-35143 | Move the atom at index 3 towards the atom at index 4 by 0.339 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 4251e55b-01b1-4d4a-afe9-087442221abe | mp-1197620 | Move the atom at index 42 towards the atom at index 27 by 1.604 angstrom in the cif file. | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K12As4P12Se36
_chemical_formula_sum "K12 As4 P12 Se36"
_cell_length_a 23.45433502
_cell_length_b 8.22297513
_cell_length_c 12.33400796
_cell_angle_alpha 55.90592922999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveTowardsAtomAction | e90f01ba-e487-49fc-ac3c-693dbe84e3eb | mp-1245330 | Move the atom at index 1 towards the atom at index 5 by 1.072 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_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 Fe28Ge4N24
_chemical_formula_sum "Fe28 Ge4 N24"
_cell_length_a 8.086777
_cell_length_b 6.339445
_cell_length_c 10.707882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 12c9ca8b-97d8-46e7-9946-4218024fb7d5 | mp-1048419 | Move the atom at index 0 towards the atom at index 10 by 2.426 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... | data_image0
_chemical_formula_structural Mg4Ta2Nb4O16
_chemical_formula_sum "Mg4 Ta2 Nb4 O16"
_cell_length_a 5.230123
_cell_length_b 5.982446959999999
_cell_length_c 10.004586360000001
_cell_angle_alpha 103.85833502
_cell_angle_beta 93.27404124
_cell_angle_gamma 91.7195298... |
MoveTowardsAtomAction | a3e620b1-6501-4439-9b1f-7e8504fc9e11 | mp-1508 | Move the atom at index 18 towards the atom at index 3 by 2.223 angstrom in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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... |
MoveTowardsAtomAction | 5fed67b3-d3b3-402a-aabe-9dc9a81f7474 | mp-1209038 | Move the atom at index 3 towards the atom at index 13 by 2.597 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... | data_image0
_chemical_formula_structural Sm12Co4Sn2
_chemical_formula_sum "Sm12 Co4 Sn2"
_cell_length_a 8.5812899
_cell_length_b 8.5812899
_cell_length_c 8.5812899
_cell_angle_alpha 112.26447806
_cell_angle_beta 109.44771758
_cell_angle_gamma 106.74848574
_space_group_nam... |
MoveTowardsAtomAction | 8717a875-9c53-49aa-8f14-d62ea7eada8a | mp-781738 | Move the atom at index 23 towards the atom at index 9 by 1.22 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveTowardsAtomAction | fbeb3d87-0a33-4750-8d59-0c3f6f2c3308 | mp-1175308 | Move the atom at index 32 towards the atom at index 12 by 0.584 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 6b3410a5-c653-413a-b3dd-70d1be63cf06 | mp-554397 | Move the atom at index 11 towards the atom at index 2 by 1.733 angstrom in the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveTowardsAtomAction | 263d3cd8-817a-4717-a955-a0ae432a7a49 | mp-559558 | Move the atom at index 16 towards the atom at index 48 by 2.147 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_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 Cu12P32S24Cl12
_chemical_formula_sum "Cu12 P32 S24 Cl12"
_cell_length_a 6.354919
_cell_length_b 11.60933
_cell_length_c 26.560462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 47b7d2d9-1a7b-45ca-9552-d1a143b1dfab | mp-685281 | Move the atom at index 20 towards the atom at index 25 by 2.986 angstrom in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... |
MoveTowardsAtomAction | 47ce4b7f-c84e-431e-9814-24295f7f548d | mp-1019732 | Move the atom at index 3 towards the atom at index 24 by 1.393 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 62edeadd-1bdd-457f-88fc-e34448ee304e | mp-1173626 | Move the atom at index 2 towards the atom at index 9 by 0.594 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 9e85e787-7964-425a-99df-7dabfe5807cf | mp-760977 | Move the atom at index 13 towards the atom at index 10 by 2.938 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... |
MoveTowardsAtomAction | 78b0c416-adda-44a7-8df1-a50232e18ebb | mp-1229279 | Move the atom at index 10 towards the atom at index 18 by 0.213 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba4Se4S16O31
_chemical_formula_sum "Ba4 Se4 S16 O31"
_cell_length_a 10.734121
_cell_length_b 5.333838
_cell_length_c 22.147670509999998
_cell_angle_alpha 89.93004263
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveTowardsAtomAction | 3ab6b54d-bdd1-41f0-98c0-29ea1f5a9b4d | mp-8825 | Move the atom at index 19 towards the atom at index 41 by 1.822 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... | data_image0
_chemical_formula_structural Pr24O44
_chemical_formula_sum "Pr24 O44"
_cell_length_a 6.916873
_cell_length_b 12.26425233
_cell_length_c 13.453490299999999
_cell_angle_alpha 89.09660662
_cell_angle_beta 78.27549531
_cell_angle_gamma 89.56569399
_space_group_nam... |
MoveTowardsAtomAction | 4fd024eb-1cb1-4865-90fe-97f103a39ae0 | mp-1176400 | Move the atom at index 22 towards the atom at index 20 by 2.504 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... | data_image0
_chemical_formula_structural Na8Li4Fe4P4C4O28
_chemical_formula_sum "Na8 Li4 Fe4 P4 C4 O28"
_cell_length_a 6.675617
_cell_length_b 8.84358954
_cell_length_c 10.33512443
_cell_angle_alpha 91.98489603
_cell_angle_beta 90.26083077
_cell_angle_gamma 91.11467526
_s... |
MoveTowardsAtomAction | d964d741-a983-47d1-9bf1-9e870025c0a7 | mp-1246580 | Move the atom at index 5 towards the atom at index 2 by 2.915 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... | data_image0
_chemical_formula_structural Ca6Mo4N8
_chemical_formula_sum "Ca6 Mo4 N8"
_cell_length_a 7.04236519
_cell_length_b 8.55334875
_cell_length_c 5.502879380000001
_cell_angle_alpha 90.00000168999999
_cell_angle_beta 90.58006323
_cell_angle_gamma 127.39295567999999
... |
MoveTowardsAtomAction | b637ef3a-4b04-431e-bbb7-d16f5422a02c | mp-1220408 | Move the atom at index 0 towards the atom at index 1 by 0.739 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... | data_image0
_chemical_formula_structural Nb4Al4Zn4
_chemical_formula_sum "Nb4 Al4 Zn4"
_cell_length_a 5.02221354
_cell_length_b 5.02226131
_cell_length_c 8.31295142
_cell_angle_alpha 90.00046036
_cell_angle_beta 90.00048932
_cell_angle_gamma 60.6792737
_space_group_name_H... |
MoveTowardsAtomAction | e09f1d04-b9e6-4ef3-96b1-4c7e700ae722 | mp-557123 | Move the atom at index 35 towards the atom at index 17 by 1.766 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | f4258ecd-4169-4696-8ed5-da063b544d3e | mp-726261 | Move the atom at index 19 towards the atom at index 12 by 1.951 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... | data_image0
_chemical_formula_structural Cu2C6N4O10
_chemical_formula_sum "Cu2 C6 N4 O10"
_cell_length_a 6.950721
_cell_length_b 7.11348608
_cell_length_c 8.65397866
_cell_angle_alpha 105.43300671
_cell_angle_beta 90.64948244
_cell_angle_gamma 112.19062950999998
_space_gr... |
MoveTowardsAtomAction | 70d0917f-3431-4f3f-a7d8-27c1c6efe68c | mp-849779 | Move the atom at index 22 towards the atom at index 39 by 2.096 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... | data_image0
_chemical_formula_structural Li4Si24Bi4O56
_chemical_formula_sum "Li4 Si24 Bi4 O56"
_cell_length_a 13.1493043
_cell_length_b 13.1493043
_cell_length_c 13.1493043
_cell_angle_alpha 146.13628062999996
_cell_angle_beta 107.23526540999998
_cell_angle_gamma 82.72329... |
MoveTowardsAtomAction | a1213ff4-aba2-4b6b-bde0-2d0c3bfb8187 | mp-1029422 | Move the atom at index 4 towards the atom at index 5 by 1.852 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | a54bf942-b382-474b-9306-15638b00160a | mp-758458 | Move the atom at index 59 towards the atom at index 71 by 0.621 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4V4P16O48
_chemical_formula_sum "Li4 V4 P16 O48"
_cell_length_a 8.879103
_cell_length_b 7.147007
_cell_length_c 15.863987029999999
_cell_angle_alpha 64.71297704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 8b013021-3ece-4be7-b9d3-88b6ae2f026f | mp-1048875 | Move the atom at index 8 towards the atom at index 11 by 2.625 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... | data_image0
_chemical_formula_structural Mn4Zn2O8
_chemical_formula_sum "Mn4 Zn2 O8"
_cell_length_a 6.07409152
_cell_length_b 6.07409152
_cell_length_c 6.07409219
_cell_angle_alpha 60.19765702000001
_cell_angle_beta 60.19765702000001
_cell_angle_gamma 60.19766422000001
_s... |
MoveTowardsAtomAction | 74b816ef-c1e1-4efd-915f-351fad5c78b2 | mp-571288 | Move the atom at index 0 towards the atom at index 13 by 2.643 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... |
MoveTowardsAtomAction | 9331575d-8098-4111-b54c-bf75be148a98 | mp-1112206 | Move the atom at index 6 towards the atom at index 3 by 2.546 angstrom in the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | cec5d837-88a9-48e9-871c-0a80d678e30d | mp-1214552 | Move the atom at index 52 towards the atom at index 29 by 1.82 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
MoveTowardsAtomAction | 2a2737ce-2b11-40e0-a177-6def68b949c3 | mp-1247313 | Move the atom at index 14 towards the atom at index 20 by 2.058 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveTowardsAtomAction | 4012114f-86d1-458d-a9fa-1180cdb843e6 | mp-572465 | Move the atom at index 39 towards the atom at index 36 by 2.641 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 79e61b39-f3dc-4d25-aecb-c74ada9ce0a1 | mp-1216973 | Move the atom at index 17 towards the atom at index 15 by 1.297 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 177235c8-050c-4629-b70f-25ad50980127 | mp-580962 | Move the atom at index 11 towards the atom at index 7 by 0.496 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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... |
MoveTowardsAtomAction | a06f7a66-3b2a-405e-9cdd-5618964a8324 | mp-885434 | Move the atom at index 12 towards the atom at index 11 by 0.253 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... |
MoveTowardsAtomAction | 2b6bd2dd-eba0-4c40-8fbb-dc354c80be95 | mp-20014 | Move the atom at index 8 towards the atom at index 9 by 0.31 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | c69eae4c-458b-4d85-a2f9-2d8eb1b54342 | mp-557900 | Move the atom at index 50 towards the atom at index 41 by 2.435 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveTowardsAtomAction | f66b85cf-45b8-4569-806b-7ce59dbc3f33 | mp-1219949 | Move the atom at index 1 towards the atom at index 2 by 1.835 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... |
MoveTowardsAtomAction | e9f7d6ce-f7ef-4274-bd80-99a313d8c506 | mp-1075693 | Move the atom at index 9 towards the atom at index 8 by 2.932 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... |
MoveTowardsAtomAction | c62d8ba7-4da0-4c00-b333-9bd89f49bf60 | mp-1101787 | Move the atom at index 3 towards the atom at index 9 by 0.121 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... |
MoveTowardsAtomAction | 6a297b84-2030-497b-bcaa-b8b9ea07448b | mp-1003545 | Move the atom at index 9 towards the atom at index 11 by 0.296 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... |
MoveTowardsAtomAction | 44b2bd80-4725-4d94-852a-d246353fb29f | mp-1304002 | Move the atom at index 15 towards the atom at index 14 by 0.848 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveTowardsAtomAction | 099f6b25-d5a9-4af3-8c61-128101655c7c | mp-1110899 | Move the atom at index 0 towards the atom at index 1 by 0.249 angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveTowardsAtomAction | 9661ce17-7b9a-4140-b039-655bb325d39d | mp-1236786 | Move the atom at index 6 towards the atom at index 14 by 1.859 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb3LiTbV2O8
_chemical_formula_sum "Rb3 Li1 Tb1 V2 O8"
_cell_length_a 5.97403382
_cell_length_b 5.97403382
_cell_length_c 9.136743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999801
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 4384c93a-2df6-47f9-8d78-213119e7441f | mp-2229527 | Move the atom at index 0 towards the atom at index 1 by 0.606 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... | data_image0
_chemical_formula_structural MgV2S4N6Cl4
_chemical_formula_sum "Mg1 V2 S4 N6 Cl4"
_cell_length_a 5.82992381
_cell_length_b 7.542384219999999
_cell_length_c 8.391765299999998
_cell_angle_alpha 93.86912929000002
_cell_angle_beta 98.64564997
_cell_angle_gamma 111.... |
MoveTowardsAtomAction | 6593ef15-9822-4996-8e48-f5a1b2b0adb8 | mp-3276 | Move the atom at index 9 towards the atom at index 7 by 0.15 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... |
MoveTowardsAtomAction | 199abd51-441a-4a69-93c7-22ea726bb44e | mp-1209674 | Move the atom at index 50 towards the atom at index 35 by 0.909 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Rb4Er4S8O36
_chemical_formula_sum "Rb4 Er4 S8 O36"
_cell_length_a 8.557369
_cell_length_b 10.59367819
_cell_length_c 10.1539343
_cell_angle_alpha 120.17599367000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 69872659-34e3-431e-815f-888f39dc6de8 | mp-1046822 | Move the atom at index 6 towards the atom at index 8 by 2.723 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... | data_image0
_chemical_formula_structural Mg4Nb4Mo2O16
_chemical_formula_sum "Mg4 Nb4 Mo2 O16"
_cell_length_a 10.20057655
_cell_length_b 10.20057655
_cell_length_c 5.3367818399999996
_cell_angle_alpha 89.64553634000002
_cell_angle_beta 89.64553634000002
_cell_angle_gamma 34... |
MoveTowardsAtomAction | e219d9d7-15ed-444d-954b-1df96467afa8 | mp-680260 | Move the atom at index 9 towards the atom at index 13 by 2.341 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... | data_image0
_chemical_formula_structural Ti45Se16
_chemical_formula_sum "Ti45 Se16"
_cell_length_a 3.46536314
_cell_length_b 16.45968269
_cell_length_c 17.78670843
_cell_angle_alpha 91.56831076999998
_cell_angle_beta 95.59008839999998
_cell_angle_gamma 90.00577845
_space_... |
MoveTowardsAtomAction | 6003fb08-f308-43c0-8a9c-abc4be5b7c3f | mp-756331 | Move the atom at index 12 towards the atom at index 25 by 1.669 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 4680f0c3-f720-41b9-84d3-46fa87a2852a | mp-1227411 | Move the atom at index 4 towards the atom at index 0 by 0.481 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveTowardsAtomAction | 597d2af2-48e3-4124-b60f-f6f2ad2b2e6c | mp-1029771 | Move the atom at index 5 towards the atom at index 21 by 2.755 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveTowardsAtomAction | 158367f8-1b2c-4d5b-a966-471d68401ab6 | mp-863407 | Move the atom at index 42 towards the atom at index 54 by 0.474 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_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 Li12Fe6Si12O36
_chemical_formula_sum "Li12 Fe6 Si12 O36"
_cell_length_a 7.188922
_cell_length_b 9.89052
_cell_length_c 10.284294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 0ee25902-3df5-4e45-9967-9b8a11f48d8f | mp-625502 | Move the atom at index 9 towards the atom at index 21 by 0.876 angstrom in the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... |
MoveTowardsAtomAction | 93f4e671-d3bd-483a-b085-e0791e211e4c | mp-1189241 | Move the atom at index 6 towards the atom at index 10 by 2.269 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | d7627630-d688-4a7c-ad7d-83998931d1a2 | mp-1304294 | Move the atom at index 4 towards the atom at index 3 by 2.373 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... | data_image0
_chemical_formula_structural Li3Mn2CoO6
_chemical_formula_sum "Li3 Mn2 Co1 O6"
_cell_length_a 5.23924799
_cell_length_b 5.25225266
_cell_length_c 5.10120777
_cell_angle_alpha 59.026436149999995
_cell_angle_beta 101.16203305000002
_cell_angle_gamma 112.05130355
... |
MoveTowardsAtomAction | ae38ce02-7a94-481a-953f-87f069edc375 | mp-1220773 | Move the atom at index 5 towards the atom at index 9 by 2.191 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... | data_image0
_chemical_formula_structural Ni43Ge3B12
_chemical_formula_sum "Ni43 Ge3 B12"
_cell_length_a 12.81606664
_cell_length_b 12.816066640000003
_cell_length_c 12.81606681
_cell_angle_alpha 33.555098560000026
_cell_angle_beta 33.55509856000001
_cell_angle_gamma 33.555... |
MoveTowardsAtomAction | f27030f9-9409-484e-806d-a2c87c46aff1 | mp-1246779 | Move the atom at index 8 towards the atom at index 22 by 1.553 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
MoveTowardsAtomAction | 65548d81-ecdd-42be-93d6-15b00e96e352 | mp-11639 | Move the atom at index 1 towards the atom at index 5 by 2.302 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 19290f7f-c018-4c57-8b3c-3e296c09a009 | mp-697575 | Move the atom at index 7 towards the atom at index 5 by 0.641 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 53ddcdcb-f579-484e-860a-5fbaf0d69595 | mp-1200784 | Move the atom at index 18 towards the atom at index 4 by 1.798 angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sn2H12Cl4O22
_chemical_formula_sum "Sn2 H12 Cl4 O22"
_cell_length_a 7.26600482
_cell_length_b 7.26600482
_cell_length_c 9.984168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000751
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 6bc2f1c3-f56e-485f-a795-e979640d7153 | mp-3824 | Move the atom at index 2 towards the atom at index 14 by 1.843 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 16f4f348-bfb9-4836-b5d6-ce1c5b8cf0b8 | mp-758121 | Move the atom at index 23 towards the atom at index 9 by 1.379 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... |
MoveTowardsAtomAction | b3b9c56f-3193-4345-aa5a-9076cbbe3839 | mp-1218172 | Move the atom at index 13 towards the atom at index 21 by 2.214 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sr2Nd2Al6O14
_chemical_formula_sum "Sr2 Nd2 Al6 O14"
_cell_length_a 7.9182988
_cell_length_b 7.9182988
_cell_length_c 5.241025
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.23993485999999
_space_group_name_H-M_a... |
MoveTowardsAtomAction | f1c6624d-d109-4bd4-bf58-74002b523a8b | mp-1214420 | Move the atom at index 14 towards the atom at index 11 by 2.398 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... |
MoveTowardsAtomAction | 4d51d995-706f-4da5-9f5f-65366e29c491 | mp-29802 | Move the atom at index 36 towards the atom at index 20 by 1.121 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | c7c043f3-a3dd-417b-8fd1-059087685bc3 | mp-1211877 | Move the atom at index 23 towards the atom at index 9 by 1.951 angstrom in the cif file. | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4P2H6Se2O16
_chemical_formula_sum "K4 P2 H6 Se2 O16"
_cell_length_a 7.602825
_cell_length_b 7.395724
_cell_length_c 9.70472644
_cell_angle_alpha 51.12925917
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 94a62a59-8d08-4550-97d4-b3c2d50b7114 | mp-774656 | Move the atom at index 21 towards the atom at index 2 by 1.364 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 55a4280e-ddd4-4f39-90a1-d8a7d05f743b | mp-1442904 | Move the atom at index 0 towards the atom at index 12 by 0.54 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... |
MoveTowardsAtomAction | 5eb017e9-c8af-469e-8c9c-77ee9b91709e | mp-1190477 | Move the atom at index 2 towards the atom at index 7 by 1.777 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K2Li2C8N12
_chemical_formula_sum "K2 Li2 C8 N12"
_cell_length_a 7.284131
_cell_length_b 7.284131
_cell_length_c 8.7752841
_cell_angle_alpha 114.52163517
_cell_angle_beta 114.52163517
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 2770ff04-adec-4665-a593-ac2dd9823c8b | mp-28297 | Move the atom at index 0 towards the atom at index 25 by 2.968 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 7e9bef76-1246-47cf-866d-86d90e1d7b2d | mp-1193572 | Move the atom at index 9 towards the atom at index 10 by 2.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mg2Mo4N4O20
_chemical_formula_sum "Mg2 Mo4 N4 O20"
_cell_length_a 5.91235041
_cell_length_b 6.43273011
_cell_length_c 15.561932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.16113344000001
_space_group_name_H-M... |
MoveTowardsAtomAction | 3ecdc679-b55d-4bb7-97cd-cc3a5ad6c999 | mp-1213210 | Move the atom at index 43 towards the atom at index 32 by 1.576 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... |
MoveTowardsAtomAction | 28a8069f-9dba-4bd3-9f1c-d0798622ae28 | mp-1094347 | Move the atom at index 6 towards the atom at index 11 by 2.232 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Mg6Ti6
_chemical_formula_sum "Mg6 Ti6"
_cell_length_a 4.882673
_cell_length_b 5.098113
_cell_length_c 9.429558
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveTowardsAtomAction | 711b4995-1d3c-4f2e-ba87-bb31bc123224 | mp-1028120 | Move the atom at index 4 towards the atom at index 13 by 2.718 angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | ef042e86-c23a-4eb5-91e5-cf0ddfa5e945 | mp-1219272 | Move the atom at index 4 towards the atom at index 39 by 2.334 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... |
MoveTowardsAtomAction | 919ed13e-f92d-4657-af56-c0bfd887a8fe | mp-20399 | Move the atom at index 9 towards the atom at index 15 by 2.734 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... | data_image0
_chemical_formula_structural Ba4Mn2Mo2O12
_chemical_formula_sum "Ba4 Mn2 Mo2 O12"
_cell_length_a 5.88137151
_cell_length_b 5.88137067
_cell_length_c 10.18683375
_cell_angle_alpha 106.77865099
_cell_angle_beta 73.22134409
_cell_angle_gamma 119.99999968
_space_g... |
MoveTowardsAtomAction | b2293530-fa5f-4b89-bae4-66d78b6c9368 | mp-20014 | Move the atom at index 4 towards the atom at index 5 by 2.974 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_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 Al4V4Mo4O28
_chemical_formula_sum "Al4 V4 Mo4 O28"
_cell_length_a 5.451499
_cell_length_b 8.304975
_cell_length_c 12.961972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | b92847ae-57c7-48f0-9ae4-9c73819a6bd1 | mp-759254 | Move the atom at index 51 towards the atom at index 33 by 2.101 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveTowardsAtomAction | 3e25c956-05ae-4aca-8510-5a0fe7cb9cc8 | mp-1189578 | Move the atom at index 7 towards the atom at index 5 by 0.433 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 01cbeab3-6052-4ee9-9b83-0c257c0f071f | mp-557589 | Move the atom at index 12 towards the atom at index 27 by 1.895 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | bafa6d9c-f6f2-4525-8225-888a0f7f3ae7 | mp-2220314 | Move the atom at index 1 towards the atom at index 5 by 0.608 angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... | data_image0
_chemical_formula_structural MgFe12O12F12
_chemical_formula_sum "Mg1 Fe12 O12 F12"
_cell_length_a 9.56777255
_cell_length_b 14.660525789999998
_cell_length_c 3.10437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.46622766
_space_group_name_H... |
MoveTowardsAtomAction | dc3cfa2d-91b3-43b7-8d4f-08fe95631317 | mp-27362 | Move the atom at index 7 towards the atom at index 5 by 2.531 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... | data_image0
_chemical_formula_structural Nb2S4Cl4
_chemical_formula_sum "Nb2 S4 Cl4"
_cell_length_a 6.32291907
_cell_length_b 6.427755
_cell_length_c 7.03413439
_cell_angle_alpha 79.78236948
_cell_angle_beta 68.85944313000002
_cell_angle_gamma 60.538071820000006
_space_gr... |
MoveTowardsAtomAction | 252d8097-df4f-44ca-a887-6ab3e9984fcb | mp-1103827 | Move the atom at index 5 towards the atom at index 1 by 0.66 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 37a3b7a3-2fbd-4549-9fda-ca0343f5f453 | mp-1189829 | Move the atom at index 10 towards the atom at index 11 by 0.588 angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural U4Ge8Ir4
_chemical_formula_sum "U4 Ge8 Ir4"
_cell_length_a 4.341078
_cell_length_b 8.796164
_cell_length_c 9.39900152
_cell_angle_alpha 117.90006183999999
_cell_angle_beta 103.35200369999998
_cell_angle_gamma 90.0
_space_group_name... |
MoveTowardsAtomAction | f109e871-50c6-418b-ba01-703f8e12c66e | mp-1200008 | Move the atom at index 51 towards the atom at index 1 by 0.864 angstrom in the cif file. | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... | data_image0
_chemical_formula_structural Pu4P8H16C4O28
_chemical_formula_sum "Pu4 P8 H16 C4 O28"
_cell_length_a 8.84722716
_cell_length_b 8.86947314
_cell_length_c 9.753096969999998
_cell_angle_alpha 71.10712759
_cell_angle_beta 71.73905019
_cell_angle_gamma 81.69825214
_... |
MoveTowardsAtomAction | 4d45b184-c7a8-4eaa-86e1-c3d7b45cc56f | mp-753734 | Move the atom at index 9 towards the atom at index 5 by 2.091 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | d45d062d-e740-42a0-96ed-b2e2eb5d232a | mp-1026581 | Move the atom at index 2 towards the atom at index 10 by 2.335 angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... |
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