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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | fb873b41-ad26-43ed-a30d-6b0e1ed91e84 | mp-1042880 | Move atoms at indices [14, 10, 23, 25, 8, 15, 9, 20, 12, 2] by [-0.092 -0.354 0.044] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | a3cb9739-1249-4be9-9882-8e4f43e987dc | mp-1217245 | Move atoms at indices [2, 8, 7] by [-0.011 2.82 -2.067] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... | data_image0
_chemical_formula_structural Ti3FeBi5O15
_chemical_formula_sum "Ti3 Fe1 Bi5 O15"
_cell_length_a 3.9680035
_cell_length_b 3.9680035
_cell_length_c 20.70600862
_cell_angle_alpha 84.57108651
_cell_angle_beta 84.57108651
_cell_angle_gamma 88.55952303
_space_group_... |
MoveSelectedAtomsAction | dd6b5991-8c4a-40c7-a69e-4b3ff32d7e24 | mp-755643 | Move atoms at indices [12, 2, 0, 9, 8, 3, 5] by [ 1.257 -2.893 -2.998] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6In2O6
_chemical_formula_sum "Rb6 In2 O6"
_cell_length_a 7.06166937
_cell_length_b 7.06166937
_cell_length_c 6.99356755
_cell_angle_alpha 84.12665671
_cell_angle_beta 84.12665671
_cell_angle_gamma 114.54365522
_space_group_name_H... |
MoveSelectedAtomsAction | a3a7417d-adbc-45c9-9620-35d490a59db4 | mp-554749 | Move atoms at indices [20, 59, 51, 45, 44, 68, 24, 64, 26, 3, 69, 60, 29, 42, 39, 21, 77, 74, 9, 16, 49, 54, 10, 47, 6, 58, 41, 57, 67, 18, 31, 15, 56, 50, 27, 43, 17, 36, 55, 34, 63, 76, 37, 23, 30, 2, 38, 48, 4, 32, 28, 46, 13, 65, 70, 53, 52, 35, 14, 5, 1, 7, 62, 0, 66, 11, 71, 25, 72, 61, 8, 12, 75] by [-0.04 -1.1... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveSelectedAtomsAction | 8a35631a-2fda-4ddb-946f-151e10e97b34 | mp-1110571 | Move atoms at indices [5, 9, 4, 8, 1, 7, 6, 0, 2] by [0.492 0.508 1.256] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveSelectedAtomsAction | c3e5f0bb-02c4-473d-a04a-aee3f39b2c67 | mp-1190284 | Move atoms at indices [5, 3, 13, 16, 7, 6, 9, 1, 10, 2, 12, 11, 8, 0, 15, 4] by [ 0.593 1.539 -3.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... |
MoveSelectedAtomsAction | d78c588d-de99-49ea-801b-621c7e61b75e | mp-1028272 | Move atoms at indices [10, 5, 3, 4, 12, 6, 0, 1, 2, 7, 13] by [-0.632 1.587 -0.887] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.3142147
_cell_length_b 6.314214199999999
_cell_length_c 10.3878148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000260999998
_space_group_name_H... |
MoveSelectedAtomsAction | 6a85524b-7eaa-4388-a618-5f785b66d692 | mp-705004 | Move atoms at indices [17, 14, 37, 8, 42, 21, 36, 10, 25, 28, 6, 40, 11, 22, 7, 2, 4, 27, 24, 35, 38, 1, 41, 34, 30, 33, 39, 31, 3, 12] by [-3.963 -0.755 0.827] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | bc99dae4-8d4f-4aad-b65e-7b7a3fcbeb6c | mp-1112589 | Move atoms at indices [4, 1, 7] by [-0.263 -1.365 4.208] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | ea0de7ed-bd00-4469-9722-07afade00136 | mp-1402005 | Move atoms at indices [13] by [-1.059 1.968 0.287] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ca2Co4O8
_chemical_formula_sum "Ca2 Co4 O8"
_cell_length_a 5.99513272
_cell_length_b 5.99513272
_cell_length_c 5.995132719999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... |
MoveSelectedAtomsAction | 6bcde003-0dd1-4914-9137-6eec2dfa4a96 | mp-18612 | Move atoms at indices [12, 2, 14, 16, 24, 9, 20, 0, 8, 15, 11, 3, 10, 25, 4, 26, 7, 23, 27, 6, 17, 21, 18, 13] by [-3.541 1.954 -0.039] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 3340efdb-d37f-4752-91a5-6048e35c3bd9 | mp-706446 | Move atoms at indices [43, 26, 24, 25, 56, 15, 5, 30, 36, 1, 13, 34, 44, 22, 6, 14, 54, 33, 28, 32, 52, 40, 7, 37, 23, 53, 50, 2, 9, 4, 11, 46, 27, 42, 29, 41, 12] by [ 2.083 -3.245 0.574] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Ti2H20C8O26
_chemical_formula_sum "Cs2 Ti2 H20 C8 O26"
_cell_length_a 11.945101
_cell_length_b 7.228416
_cell_length_c 8.01565343
_cell_angle_alpha 77.92295186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 303db52b-5ace-42bf-a34b-e257f6b32f2f | mp-755976 | Move atoms at indices [18, 16, 1, 19, 17, 15, 9, 13, 8, 6, 7, 10, 0, 2] by [2.324 1.853 0.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... | data_image0
_chemical_formula_structural Li2MnV4FeO12
_chemical_formula_sum "Li2 Mn1 V4 Fe1 O12"
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_space_g... |
MoveSelectedAtomsAction | 6740c90d-7989-46c9-977d-712b5f9f1dcf | mp-1522056 | Move atoms at indices [3, 1, 0, 8, 9, 6, 5, 4, 7, 2] by [ 2.609 0.015 -0.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
MoveSelectedAtomsAction | 1b47b454-270f-49ec-aa4d-2fe13b243a77 | mp-1100614 | Move atoms at indices [27, 31, 13, 2, 25, 28] by [ 1.645 -1.291 0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 19.31409866
_cell_length_b 19.31409866
_cell_length_c 5.18226634
_cell_angle_alpha 88.41600811
_cell_angle_beta 88.41600811
_cell_angle_gamma 8.55319050000004
_spa... |
MoveSelectedAtomsAction | cd939196-9637-4d3c-bcba-53a5120fb681 | mp-1110828 | Move atoms at indices [2, 9, 5, 7, 8, 1, 4, 6] by [ 0.462 2.044 -0.63 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... |
MoveSelectedAtomsAction | 3eb6c197-ea6d-471c-956c-22ce6b1db634 | mp-2224725 | Move atoms at indices [3, 15, 8, 16, 5, 9, 1, 4, 14, 0, 13, 6, 11, 10, 2, 7, 12] by [ 1.267 -2.002 1.939] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... | data_image0
_chemical_formula_structural MgV4O8F4
_chemical_formula_sum "Mg1 V4 O8 F4"
_cell_length_a 5.16647683
_cell_length_b 9.2913961
_cell_length_c 5.06689325
_cell_angle_alpha 103.06768326999999
_cell_angle_beta 117.59282424000001
_cell_angle_gamma 77.03198738
_spac... |
MoveSelectedAtomsAction | 22a6c02c-f170-409e-9481-cd78c38583b4 | mp-1193573 | Move atoms at indices [27, 24, 8, 16, 23, 26, 25, 11, 20, 21, 9, 4, 2, 3, 1, 14, 5, 0] by [-1.632 -0.186 -1.818] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... |
MoveSelectedAtomsAction | b4cdd2eb-a83f-42e7-8ad9-e34f1c2c5f27 | mp-1520146 | Move atoms at indices [5, 3, 9, 4, 1, 7] by [2.026 0.34 4.854] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Ba2PrTiO6
_chemical_formula_sum "Ba2 Pr1 Ti1 O6"
_cell_length_a 6.12040321
_cell_length_b 6.120403210000001
_cell_length_c 6.12040321
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
MoveSelectedAtomsAction | bd516799-064e-4a88-a115-e476c5e2a578 | mp-8762 | Move atoms at indices [13, 16, 17, 4, 11, 0, 9, 1, 12, 19, 15, 8, 18] by [-2.273 1.91 -2.641] angstrom in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | c2604a38-39ff-49fb-99df-8c50f0942713 | mp-1044413 | Move atoms at indices [26, 24, 14, 4, 7, 3, 9, 15, 27, 19, 5, 22, 30, 23, 12, 20, 13, 8, 17, 6, 11, 21, 18, 1, 25, 28, 29, 0, 16] by [1.496 0.811 1.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Zn4Fe4Bi4O20
_chemical_formula_sum "Zn4 Fe4 Bi4 O20"
_cell_length_a 10.499317
_cell_length_b 5.349085
_cell_length_c 8.526569
_cell_angle_alpha 71.10196895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | bb1b0079-e989-42e4-b740-8e9e1faabb18 | mp-568693 | Move atoms at indices [8, 21, 10, 6, 20, 9, 3, 15, 11, 4, 18, 7, 17] by [-0.898 2.382 0.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... |
MoveSelectedAtomsAction | cf34cc81-c5cf-4611-b313-248c789dad0c | mp-557871 | Move atoms at indices [1, 3, 9, 4, 10] by [ 0.493 -1.14 -0.39 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... |
MoveSelectedAtomsAction | 480106c7-9174-4008-b0ed-d61d715b4a3b | mp-1247260 | Move atoms at indices [17, 13, 14, 20, 31, 6, 9, 33, 12, 21, 7, 11, 29, 32, 10, 26, 18, 35, 8, 4, 25, 28, 15, 3, 1, 27, 34, 22, 0, 24, 19] by [0.744 0.397 0.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 33ebce28-946a-46d2-bece-de0e6572b3cb | mp-17446 | Move atoms at indices [0, 1, 23, 24, 3, 22, 5, 26, 18, 27, 9, 25, 11, 33] by [-1.833 -4.015 0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 4f0c469f-1f40-44cb-b4c3-1537b648d632 | mp-1179123 | Move atoms at indices [46, 29, 27, 42, 47, 15, 32, 9, 51, 3, 21, 5, 24, 19, 8, 39, 38, 23, 14, 26, 35, 25] by [2.408 0.767 1.835] angstrom in the cif file. | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural U12O40
_chemical_formula_sum "U12 O40"
_cell_length_a 20.445114
_cell_length_b 5.881327
_cell_length_c 7.99873712
_cell_angle_alpha 62.64545598
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 97ebf5d0-e912-4276-ba6d-5bd7fd7adbc2 | mp-1246639 | Move atoms at indices [4, 3, 6, 1, 16, 20, 10] by [ 1.732 -0.59 2.551] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... | data_image0
_chemical_formula_structural Nb6Pb6N10
_chemical_formula_sum "Nb6 Pb6 N10"
_cell_length_a 6.38022584
_cell_length_b 7.95680505
_cell_length_c 9.24835502
_cell_angle_alpha 104.97785735000001
_cell_angle_beta 96.23365096
_cell_angle_gamma 104.06418794000001
_spa... |
MoveSelectedAtomsAction | be6c45c3-83b0-4312-89ae-7fe58b4f2900 | mp-697774 | Move atoms at indices [1, 30, 51, 47, 23, 10, 15, 5, 48, 20, 22, 0, 9, 40, 29, 21, 35, 50, 24, 16, 34, 7, 45, 32, 36, 37, 27, 17, 18, 12, 14, 13, 31, 38, 4, 41, 6, 2, 28, 33, 46] by [-2.362 -1.444 -0.024] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Cr4P8O32
_chemical_formula_sum "Li8 Cr4 P8 O32"
_cell_length_a 17.437115
_cell_length_b 4.884287
_cell_length_c 6.59633722
_cell_angle_alpha 85.48475802999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 8d44a8e5-7164-457d-85de-88f9715ad00b | mp-28457 | Move atoms at indices [35, 4, 8, 23, 30, 46, 44, 14, 25, 47, 9, 29, 36, 37, 0, 10, 39, 22, 34, 21, 40, 15, 6, 43, 7] by [ 0.218 -0.133 -0.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
MoveSelectedAtomsAction | ebca097e-c368-47b6-b8ab-145be1cea998 | mp-754121 | Move atoms at indices [3, 1, 12, 13, 14, 15, 9, 10] by [ 5.007 -1.543 0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_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 Li4Al2Co2O8
_chemical_formula_sum "Li4 Al2 Co2 O8"
_cell_length_a 5.003307
_cell_length_b 5.503017
_cell_length_c 6.240762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 0a3f0b0d-cc33-4f57-9695-96d59082cc7e | mp-1227224 | Move atoms at indices [28, 20, 30, 35, 4, 32, 2, 38, 33, 19, 13, 17, 16, 12, 14] by [-1.606 2.369 -1.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... |
MoveSelectedAtomsAction | ffd48509-58c9-46e5-be41-17cefd901eac | mp-1102706 | Move atoms at indices [8, 0] by [ 0.571 -0.45 2.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... | data_image0
_chemical_formula_structural Eu3Ga8
_chemical_formula_sum "Eu3 Ga8"
_cell_length_a 13.19680096
_cell_length_b 13.19680096
_cell_length_c 13.19680096
_cell_angle_alpha 160.74251643000002
_cell_angle_beta 160.19978947
_cell_angle_gamma 27.75764840999999
_space_g... |
MoveSelectedAtomsAction | 802a72c5-877b-4317-b066-8e564a338d7e | mp-1192578 | Move atoms at indices [9, 24, 16, 17, 22, 10, 7, 19, 26, 18, 5, 4, 25, 3, 11, 0] by [ 0.052 -0.114 -0.462] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... |
MoveSelectedAtomsAction | 65dd6b44-a3af-426c-bb03-2c48720e4064 | mp-756031 | Move atoms at indices [21, 8, 16, 9, 6, 17, 11, 19, 5, 13, 15, 7, 0, 4, 3, 12, 1, 20] by [ 0.397 -1.772 -1.241] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... |
MoveSelectedAtomsAction | 8c3353a8-3b39-4a43-975d-4b68d5c4df1f | mp-30667 | Move atoms at indices [54, 49, 17, 9, 15, 23, 26, 56, 20, 38, 27, 1, 14, 58, 31, 16, 44, 47, 59, 33] by [-4.625 -0.669 -2.578] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_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 Sr32Ga28
_chemical_formula_sum "Sr32 Ga28"
_cell_length_a 12.4439314
_cell_length_b 12.4439314
_cell_length_c 12.4439314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | d1fd0f21-5e7b-4885-936a-5c7a230d93eb | mp-661715 | Move atoms at indices [2, 5, 9, 8, 10, 6, 14, 11, 3, 16, 12, 7] by [-1.75 1.464 3.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveSelectedAtomsAction | e80fde08-18c1-4a0d-b7cd-8066a5b3b092 | mp-573073 | Move atoms at indices [48, 23, 10, 28, 45, 27, 59, 53, 5, 29, 11, 61, 26, 21, 17, 62, 50, 6, 31, 0, 57, 55, 13, 3, 7, 19, 38, 20, 25, 47, 14, 63, 30, 39, 37, 44, 1, 16, 4, 51, 9, 56, 34, 35, 18] by [-0.469 -2.41 0.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveSelectedAtomsAction | e0d9346f-b0f9-4a61-8dce-f67da0f57fb3 | mp-1226157 | Move atoms at indices [11, 5] by [-2.13 -1.656 -1.04 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... |
MoveSelectedAtomsAction | 9bd0b140-0175-4c35-a0fc-a4121d520e54 | mp-1188640 | Move atoms at indices [0, 12, 14, 5] by [ 1.866 -1.051 1.732] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 383fdfc2-00fe-4d18-829f-4c012090f3c3 | mp-1175936 | Move atoms at indices [6, 18, 20, 17, 3, 4, 21, 22, 16, 7, 26, 2, 27, 9, 14, 19, 25, 24, 11, 12, 15, 1, 31, 0, 10, 5, 28, 23] by [-0.25 -0.013 -0.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... |
MoveSelectedAtomsAction | fde30901-6c1c-4f41-a01a-9f072bd0e001 | mp-1041494 | Move atoms at indices [11, 12] by [1.559 3.829 2.006] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... | data_image0
_chemical_formula_structural Mg2Cu4O8
_chemical_formula_sum "Mg2 Cu4 O8"
_cell_length_a 5.86500225
_cell_length_b 5.865002249999999
_cell_length_c 5.865002250000001
_cell_angle_alpha 118.43467495
_cell_angle_beta 118.31981506999999
_cell_angle_gamma 92.83448037... |
MoveSelectedAtomsAction | 7e83ec42-5973-4789-acd5-4b2f980e00b8 | mp-1041677 | Move atoms at indices [3, 14, 12, 6, 0, 18, 20, 11, 17, 2, 5, 9, 13, 16, 8, 21, 10, 15, 4, 7, 1] by [ 1.645 -0.028 2.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... |
MoveSelectedAtomsAction | 22aeed9e-57e7-46fd-afcf-129474948d0c | mp-561179 | Move atoms at indices [9, 11, 18, 14, 2, 7, 23, 1, 15, 13, 10, 12, 17, 5, 0, 21, 4, 22] by [ 0.329 2.193 -3.183] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
MoveSelectedAtomsAction | ee3ec70c-9877-4401-8e87-75691aaee860 | mp-755245 | Move atoms at indices [11, 9, 3, 0, 12, 13, 2, 1, 6, 5, 10] by [-0.465 0.659 0.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Cu2P2O8
_chemical_formula_sum "Li2 Cu2 P2 O8"
_cell_length_a 4.90395103
_cell_length_b 4.90395103
_cell_length_c 6.273712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.44416986
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 8091b81b-633a-478a-b1a8-182ef592c984 | mp-1042982 | Move atoms at indices [31, 0, 27, 10, 13, 15, 21] by [ 0.171 -0.602 0.663] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Ti4Ge8O24
_chemical_formula_sum "Ca4 Ti4 Ge8 O24"
_cell_length_a 8.694751
_cell_length_b 5.417338
_cell_length_c 12.18759108
_cell_angle_alpha 77.25828107
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6d71c17a-e541-4fba-8d36-554189a39401 | mp-557730 | Move atoms at indices [14, 16, 25, 18, 15, 21, 0, 12, 20, 13, 3, 23, 1, 10, 2, 17, 11, 7, 6, 5, 4, 9, 22, 19, 24, 8] by [2.225 2.491 0.461] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... |
MoveSelectedAtomsAction | 1bd58d57-acf4-4836-b10e-d0b9377871c2 | mp-1225213 | Move atoms at indices [1, 10, 15, 8, 9, 22, 20, 11, 4, 2, 23, 3, 5, 7, 16, 0, 6, 18, 21] by [-1.627 -0.476 3.774] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... | data_image0
_chemical_formula_structural Gd16Mg2Al2Ni4
_chemical_formula_sum "Gd16 Mg2 Al2 Ni4"
_cell_length_a 9.63804673
_cell_length_b 9.64592505
_cell_length_c 9.63761693
_cell_angle_alpha 89.97712148
_cell_angle_beta 59.58567098
_cell_angle_gamma 119.59453814
_space_g... |
MoveSelectedAtomsAction | 06de98f4-be3f-44dc-be29-e39b562c37ea | mp-1195660 | Move atoms at indices [58, 28, 15, 72, 77, 9, 17, 75, 14, 90, 85, 20, 73, 22, 27, 18, 70, 30, 80, 61, 91, 13, 47, 71, 7, 56, 37, 36, 2, 52, 76, 19, 25, 35, 4, 86, 0] by [-1.889 0.59 2.666] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... |
MoveSelectedAtomsAction | f105a6cd-acdd-4f1b-a8aa-eedfcf115032 | mp-1220398 | Move atoms at indices [4, 3, 8, 0, 9, 5, 1, 7, 6] by [ 0.779 2.947 -1.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nb2Mo2S6
_chemical_formula_sum "Nb2 Mo2 S6"
_cell_length_a 3.28209
_cell_length_b 6.269142
_cell_length_c 8.80014441
_cell_angle_alpha 75.81521402
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 5d7c2abd-775a-4f6e-99a9-234f2c707644 | mp-1358572 | Move atoms at indices [21, 23, 5, 20, 7, 15, 25, 32, 31, 14, 34, 6, 24, 26, 4, 28, 1, 22, 8, 29, 10, 2, 17, 11, 12, 0, 9, 13, 19] by [-1.14 1.969 0.938] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... |
MoveSelectedAtomsAction | 440a0d4b-e42f-43b6-a171-cfe28ee5ba92 | mp-1219272 | Move atoms at indices [27, 21, 5, 8, 2, 14, 16, 41, 3, 18, 28, 33, 30, 37, 40, 20, 6] by [ 1.454 -1.097 -2.17 ] 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... |
MoveSelectedAtomsAction | 6c89f949-2093-4f3a-8846-a486a4ef9097 | mp-1041677 | Move atoms at indices [16, 12, 10, 17] by [-1.05 1.089 -0.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.333439
_cell_length_b 6.756872040000001
_cell_length_c 6.9894803
_cell_angle_alpha 86.90014498000001
_cell_angle_beta 85.42612529
_cell_angle_gamma 68.22380661
_sp... |
MoveSelectedAtomsAction | 0c103ab4-04be-4067-a6d7-4a32e00a3e60 | mp-765137 | Move atoms at indices [53, 80, 16, 58, 88, 71, 45, 68, 5, 43, 15, 18, 81, 0, 48, 14, 3, 65, 84, 31, 59, 9, 60, 40, 66, 78, 38, 89, 30, 63, 75] by [-1.892 0.393 -0.688] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.775976
_cell_length_b 9.78511963
_cell_length_c 14.093324310000002
_cell_angle_alpha 89.79001539000001
_cell_angle_beta 89.60093575
_cell_angle_gamma 60.392735199... |
MoveSelectedAtomsAction | d71b932c-e52e-4784-9c2e-a347a3361ff5 | mp-14215 | Move atoms at indices [5, 27, 36, 1, 71, 50, 41, 43, 34, 57, 14, 47, 61, 51, 48, 39, 24, 2, 45, 38, 54, 40, 3, 21, 31, 16, 33, 28, 53, 64] by [-2.616 2.324 2.837] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_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 Ba32Ge8P32
_chemical_formula_sum "Ba32 Ge8 P32"
_cell_length_a 13.224191
_cell_length_b 13.224191
_cell_length_c 13.224191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 5df9190f-3642-4077-b2c4-0fda72efefb5 | mp-1225501 | Move atoms at indices [7, 19, 16, 22, 3, 15, 6, 4, 13, 23, 9, 0, 11, 8, 18, 20, 2, 17, 21, 14, 5, 1] by [-0.439 2.309 -0.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... |
MoveSelectedAtomsAction | d0e3a944-1b69-496a-94bd-497527d3b3d7 | mp-1040411 | Move atoms at indices [54, 44, 22, 40, 14, 42, 13, 6, 38, 53, 10, 43, 55, 61, 12, 27, 30, 32, 19, 50, 56, 25, 48, 60, 11, 58, 5, 16, 46, 26, 36, 29, 23, 28, 41, 35, 3, 17, 33, 0, 9, 49, 21, 18, 7, 8, 31, 4, 39, 1, 34, 62, 20, 57, 51, 15, 2, 24, 47] by [ 2.182 -0.361 0.46 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... |
MoveSelectedAtomsAction | 7d74895f-0c34-4086-adea-691c3230c186 | mp-2231482 | Move atoms at indices [4, 6, 17, 16, 2, 7, 9, 18, 10, 12, 8, 5, 14] by [1.048 0.213 0.164] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... | data_image0
_chemical_formula_structural MgCo6O8F4
_chemical_formula_sum "Mg1 Co6 O8 F4"
_cell_length_a 8.08584555
_cell_length_b 5.65752565
_cell_length_c 5.82326752
_cell_angle_alpha 65.24668026
_cell_angle_beta 63.46810311000001
_cell_angle_gamma 64.54330281
_space_gro... |
MoveSelectedAtomsAction | af90ab31-2047-45eb-aa21-234e2668d191 | mp-1222538 | Move atoms at indices [6, 0, 11, 9, 14, 3, 10, 5] by [ 1.539 0.309 -0.741] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 4.18470949
_cell_length_b 7.842257359999999
_cell_length_c 5.146401900000001
_cell_angle_alpha 89.66758232999999
_cell_angle_beta 113.96656798
_cell_angle_gamma 74.55276536
_... |
MoveSelectedAtomsAction | b7a6a463-858f-42c1-880c-78a39cabfa13 | mp-1223827 | Move atoms at indices [7, 5, 8, 6, 9] by [-1.468 0.808 1.052] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... |
MoveSelectedAtomsAction | 81125d16-5a5a-4f97-b3de-c0ffaaf61d52 | mp-28988 | Move atoms at indices [30, 22, 43, 7] by [-0.236 -2.13 2.41 ] angstrom in the cif file. | data_image0
_chemical_formula_structural In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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 In28Br36
_chemical_formula_sum "In28 Br36"
_cell_length_a 12.921311
_cell_length_b 12.921311
_cell_length_c 12.921311
_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... |
MoveSelectedAtomsAction | 0f55eecd-2a78-4d1a-9fe1-03de3b3109e2 | mp-755971 | Move atoms at indices [11, 10, 13, 8, 5, 3, 6, 4, 2] by [-1.36 0.592 -1.53 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... |
MoveSelectedAtomsAction | d3a64bea-8696-4da6-9351-513ad94b5d90 | mp-1331701 | Move atoms at indices [17, 9, 5, 12, 15, 13, 0, 10, 6, 3, 8, 19, 11, 18, 14] by [-3.867 -0.431 3.645] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mg4Ta2Sn2O12
_chemical_formula_sum "Mg4 Ta2 Sn2 O12"
_cell_length_a 7.822508
_cell_length_b 5.453126
_cell_length_c 5.5392749100000005
_cell_angle_alpha 88.0051843
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 848d8edf-75ab-4ed9-bb30-a70053d0bbef | mp-775212 | Move atoms at indices [3, 14, 11, 4, 31, 29, 33, 30, 8, 9, 35, 7, 6, 10, 34, 25, 2, 26, 1, 32, 23, 12, 13, 24, 16, 5, 27, 21, 20, 0, 15, 18, 17, 19] by [ 1.576 -0.008 -2.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... |
MoveSelectedAtomsAction | 7eaff330-24d9-4c6b-8014-8a41cc59bf18 | mp-726132 | Move atoms at indices [10, 15, 8, 13, 11, 1, 3, 5, 9, 12, 0, 7, 2] by [3.01 0.476 2.835] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveSelectedAtomsAction | bd4ef9e3-2af4-4119-b385-7f844d6373ec | mp-1194895 | Move atoms at indices [2, 73, 30, 60, 9, 49, 63, 34, 66, 16, 3, 69, 23, 44, 47, 64, 6, 62, 31, 48, 7, 55, 14, 11, 57, 25, 20, 10, 26, 71, 41, 8, 53, 68, 15, 0, 13, 19, 21, 38, 65, 37, 24, 74, 17, 51, 54, 61, 43, 45, 35, 4, 67, 1, 42, 50, 40, 46, 52, 12, 75, 59, 56] by [ 3.098 -1.538 0.374] angstrom in the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | b7a27a2a-11ca-4732-adeb-21cee821f780 | mp-726132 | Move atoms at indices [0, 5, 7, 6, 10, 13, 9, 11, 3] by [-0.052 -0.007 1.265] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveSelectedAtomsAction | 994e9671-b34c-42f1-a11d-6be4c13aa599 | mp-1111080 | Move atoms at indices [3, 9] by [-0.005 1.646 -3.128] angstrom in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... |
MoveSelectedAtomsAction | 5c955b0e-d9a2-458d-9d1e-ac29351a249a | mp-1182503 | Move atoms at indices [44, 47, 43, 30, 29, 5, 0, 28, 3, 41, 38, 23, 24, 11, 46, 25, 6, 2, 16, 33] by [-1.023 2.255 -3.617] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe16O34
_chemical_formula_sum "Fe16 O34"
_cell_length_a 5.88302
_cell_length_b 10.13313594
_cell_length_c 10.4412778
_cell_angle_alpha 90.96816243
_cell_angle_beta 90.07135306999999
_cell_angle_gamma 90.0247319
_space_group_name_H-... |
MoveSelectedAtomsAction | 3fe8f30a-d9af-4726-8d27-db019fd3e632 | mp-767632 | Move atoms at indices [0, 23, 22, 17, 1, 7, 12, 19, 21, 6, 15, 4, 11, 18, 13, 2] by [-0.477 -0.482 -0.06 ] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | 25afc4e5-ab4a-45ca-b68d-7846ba37f717 | mp-1191979 | Move atoms at indices [2] by [-0.623 -2.144 0.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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 Rb4Tl4F16
_chemical_formula_sum "Rb4 Tl4 F16"
_cell_length_a 6.338922
_cell_length_b 8.451161
_cell_length_c 8.626718
_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... |
MoveSelectedAtomsAction | 99f463e7-181f-4da5-ba83-980cfdc00f8a | mp-1095658 | Move atoms at indices [8, 4, 1, 11, 7, 6, 2, 5, 3, 0] by [ 2.952 -1.953 -0.611] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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 Tb8Au4
_chemical_formula_sum "Tb8 Au4"
_cell_length_a 4.97480589
_cell_length_b 7.11026814
_cell_length_c 8.92548935
_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... |
MoveSelectedAtomsAction | 86b29fc1-1677-4d91-9c0d-b59c4661f5ef | mp-831055 | Move atoms at indices [4, 14, 18, 27, 10, 36, 26, 15, 20, 13, 28, 2, 25, 39, 0, 23, 34, 8, 5, 43, 31, 37, 19, 21, 17, 24] by [ 1.271 -4.519 2.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 8.449545
_cell_length_b 6.999415
_cell_length_c 9.187202510000002
_cell_angle_alpha 67.79545209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | b23f85c3-ecd4-430b-ac21-70ed1096e4ad | mp-774237 | Move atoms at indices [7, 8, 23, 11, 3, 20, 18, 22] by [-0.297 -3.906 0.544] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... |
MoveSelectedAtomsAction | 1e550cd9-c8e1-4e71-a232-7067e58818e5 | mp-1226157 | Move atoms at indices [15, 17, 11, 6, 4, 1, 14, 3] by [ 4.88 0.532 -1.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... |
MoveSelectedAtomsAction | 317b7a32-6901-4070-881a-1bc63ad5078f | mp-1189135 | Move atoms at indices [10, 5, 7, 1, 2, 8, 9, 19, 6, 13, 14, 18, 17] by [ 1.141 -3.786 0.584] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Dy6Cu6Sb8
_chemical_formula_sum "Dy6 Cu6 Sb8"
_cell_length_a 8.26057995
_cell_length_b 8.26057995
_cell_length_c 8.26057995
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
MoveSelectedAtomsAction | 7b810cc5-985d-478c-ae21-d83ed99fffe9 | mp-1211273 | Move atoms at indices [4, 6, 8, 15] by [ 0.555 2.903 -1.629] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... |
MoveSelectedAtomsAction | e0c1d05e-be64-45df-aded-048f76ea73a4 | mp-849289 | Move atoms at indices [50, 6, 34, 39, 61, 38, 70, 22, 81, 2, 3, 11, 25, 77, 66, 68, 5, 27, 13, 49, 78, 45, 28, 72, 19, 15, 83, 17, 44, 57, 20, 36, 67, 10, 24, 76, 30, 58, 29, 71, 59, 75, 80, 53, 63, 82, 43, 69, 60, 35, 37, 8, 54, 52, 18, 73, 0, 33, 40, 51, 21, 4, 26, 74, 42, 41, 55, 79, 12, 16, 48, 23] by [-2.332 -4.20... | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | a0af6c9f-a54b-4417-8e0d-807e98e5eee8 | mp-1006616 | Move atoms at indices [34, 19, 31, 37, 17, 3, 23, 12, 15, 16, 24, 36, 1, 4, 13, 21] by [ 0.071 0.153 -2.594] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... | data_image0
_chemical_formula_structural Pr2N6O30
_chemical_formula_sum "Pr2 N6 O30"
_cell_length_a 9.09463367
_cell_length_b 11.70079589
_cell_length_c 7.073050710000001
_cell_angle_alpha 91.50830443999999
_cell_angle_beta 115.14060857999999
_cell_angle_gamma 109.12863527... |
MoveSelectedAtomsAction | 4ca48af2-3692-42dd-968b-90a9776f451d | mp-505098 | Move atoms at indices [33, 45, 63, 49, 37, 0, 7, 47, 3, 60, 31, 50, 57, 25, 44, 64, 27, 9, 18, 14, 40, 16, 21, 1, 26, 23, 24, 2, 53, 29, 5, 54, 11, 13, 42, 43, 20, 65, 28] by [-0.711 -0.8 0.727] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | f8119a83-bf25-4b5c-a372-c951b0f21b6e | mp-1222777 | Move atoms at indices [5, 2, 7, 18, 15, 21, 19, 4, 10, 3, 11, 8, 13, 0, 6, 12, 9, 16, 1, 23, 17, 14, 22] by [ 1.052 -0.372 0.878] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li2CePrMo4O16
_chemical_formula_sum "Li2 Ce1 Pr1 Mo4 O16"
_cell_length_a 5.322373
_cell_length_b 5.322373
_cell_length_c 11.537255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | c907109c-ffd0-493f-87eb-8548ce6252d3 | mp-1080201 | Move atoms at indices [22, 18, 14, 16, 0, 1, 3, 23] by [ 1.168 4.161 -2.766] angstrom in the cif file. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveSelectedAtomsAction | 93b84dbb-95e2-434b-be2d-9c77ff7d49f3 | mp-15888 | Move atoms at indices [6, 2, 1, 3, 0, 9, 4, 7] by [ 1.155 -1.987 1.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ba2YIrO6
_chemical_formula_sum "Ba2 Y1 Ir1 O6"
_cell_length_a 5.97619074
_cell_length_b 5.97619074
_cell_length_c 5.97619074
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 347937e7-fe8b-48c2-b8ba-2048fa9e5083 | mp-1219950 | Move atoms at indices [0, 10, 18] by [-0.291 0.675 3.407] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_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 Pr6Ni3Sn14
_chemical_formula_sum "Pr6 Ni3 Sn14"
_cell_length_a 4.58342185
_cell_length_b 4.57783619
_cell_length_c 27.59267038
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 468eb217-0622-4077-9d1d-ca25c7da8a9f | mp-770748 | Move atoms at indices [0, 33, 39, 14, 12, 21, 7, 20, 8, 24, 41, 37, 3, 1, 27, 23] by [-1.521 0.974 -0.23 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 9ac5e4b8-c4c7-496a-8ec8-0a993626d6b7 | mp-30385 | Move atoms at indices [3, 2, 5, 9, 4, 6] by [-2.139 -0.401 -0.435] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | dc35e1f1-eae2-4c9e-b936-fb9a6bfe5ac0 | mp-1214717 | Move atoms at indices [27, 40, 35, 38, 28] by [ 2.763 0.87 -4.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... |
MoveSelectedAtomsAction | b3e32ebd-7ae0-49f5-8ab3-3d5b722435ab | mp-8829 | Move atoms at indices [4, 3, 8, 7, 2, 6, 5, 9, 13, 12, 19, 14, 11, 0] by [-1.771 0.244 -0.31 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 7360059c-e1c8-4ba7-a449-cd5ea2ab4250 | mp-1174216 | Move atoms at indices [0, 15, 9, 8, 11, 7, 10, 4, 13] by [-2.835 -1.077 1.653] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... | data_image0
_chemical_formula_structural Li4Mn3CoO8
_chemical_formula_sum "Li4 Mn3 Co1 O8"
_cell_length_a 5.08903
_cell_length_b 5.8544980099999995
_cell_length_c 6.02502306
_cell_angle_alpha 61.61996908999999
_cell_angle_beta 77.13094463
_cell_angle_gamma 73.71722812
_sp... |
MoveSelectedAtomsAction | 1059f73b-c62c-4824-a245-5bb23103c6d2 | mp-558938 | Move atoms at indices [64, 17, 57, 2, 42, 26, 38, 31, 35, 18, 3, 45, 32, 66, 62, 41, 58, 22, 47, 67, 50, 49, 65, 27, 34, 5, 9, 46, 12, 0, 52] by [-2.002 -5.049 1.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_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 Zn16Si4Te4Pb4O40
_chemical_formula_sum "Zn16 Si4 Te4 Pb4 O40"
_cell_length_a 6.622298
_cell_length_b 8.413329
_cell_length_c 15.842037
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 0ba69883-6a2e-4f20-8fb4-1a689ab7672d | mp-1194776 | Move atoms at indices [3, 0, 20, 5, 8, 4, 18, 10, 12, 25, 15, 27] by [-0.018 -3.57 -2.633] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... | data_image0
_chemical_formula_structural Pu2N4O22
_chemical_formula_sum "Pu2 N4 O22"
_cell_length_a 7.364309
_cell_length_b 7.5824605499999995
_cell_length_c 10.34419625
_cell_angle_alpha 82.79390142
_cell_angle_beta 77.72640018
_cell_angle_gamma 67.92998995
_space_group_... |
MoveSelectedAtomsAction | 702cf3f3-3536-475c-a343-d4e4a0a7fec9 | mp-1199114 | Move atoms at indices [22, 25, 36, 16, 44, 53, 32, 43, 47, 37, 11, 42, 1, 50, 70, 23, 5, 29, 51, 15, 71, 21, 3, 18, 39, 57, 68, 34, 31, 2, 17, 65, 59, 0, 14, 13, 38, 24, 19, 55, 28] by [0.493 1.2 2.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Pu4P8H24C4O32
_chemical_formula_sum "Pu4 P8 H24 C4 O32"
_cell_length_a 5.337554
_cell_length_b 8.573383
_cell_length_c 17.099592490000003
_cell_angle_alpha 90.0
_cell_angle_beta 103.99888517999999
_cell_angle_gamma 90.0
_space_grou... |
MoveSelectedAtomsAction | 9cce6559-5b40-488a-9401-fcb1b7065a8b | mp-2503 | Move atoms at indices [0, 16, 6, 2, 9, 14, 10, 8, 13, 7, 18, 4, 5] by [1.476 1.873 2.536] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 756b94ae-4b9d-44b2-91bb-fa247ff21bb8 | mp-1212795 | Move atoms at indices [19, 17, 9, 15, 2, 4, 12, 18, 1, 13, 7, 3, 14, 0, 5, 8, 11, 6] by [4.072 4.132 0.043] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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 Eu4In4O12
_chemical_formula_sum "Eu4 In4 O12"
_cell_length_a 5.712293
_cell_length_b 5.996883
_cell_length_c 8.162569
_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... |
MoveSelectedAtomsAction | 1343bd70-cb1e-42d1-9fa9-ef894ad56cb4 | mp-1235566 | Move atoms at indices [14, 18, 15, 3, 0, 11, 6, 12, 20, 10, 7, 1, 17] by [-0.099 0.216 0.46 ] angstrom in the cif file. | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... | data_image0
_chemical_formula_structural LiSm4Ti2Mn2O12
_chemical_formula_sum "Li1 Sm4 Ti2 Mn2 O12"
_cell_length_a 5.49944071
_cell_length_b 5.85226931
_cell_length_c 8.08076575
_cell_angle_alpha 90.68396232
_cell_angle_beta 92.62728011999998
_cell_angle_gamma 89.28498085
... |
MoveSelectedAtomsAction | b4400b3d-ed5d-46a0-9d71-f3e8610d2f16 | mp-18607 | Move atoms at indices [16, 23, 1, 12, 2, 10, 7, 5, 21, 20, 11, 19, 18, 25] by [0.612 2.655 0.724] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... | data_image0
_chemical_formula_structural Mn4Te6O16
_chemical_formula_sum "Mn4 Te6 O16"
_cell_length_a 6.96540129
_cell_length_b 6.96540129
_cell_length_c 11.850641309999999
_cell_angle_alpha 82.66473711
_cell_angle_beta 82.66473711
_cell_angle_gamma 45.40916687
_space_gro... |
MoveSelectedAtomsAction | 5c4c3af9-1cd5-4ded-ba48-b24dbf080d05 | mp-1033383 | Move atoms at indices [6, 13, 5, 12, 2, 14, 1, 3] by [-0.798 1.014 1.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_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 Mg6NbCO8
_chemical_formula_sum "Mg6 Nb1 C1 O8"
_cell_length_a 9.31731571
_cell_length_b 4.19016084
_cell_length_c 4.19016084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | e8c7b48e-2f8b-4c70-9d9c-eb76bd982ad7 | mp-1100889 | Move atoms at indices [16, 3, 9, 22] by [-0.696 -2.358 -0.019] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | cb98346f-294a-4bdd-95a6-852d2f374f97 | mp-530449 | Move atoms at indices [53, 8, 77, 51, 76, 35, 39, 79, 6, 86, 4, 80, 74, 20, 89, 45, 69, 32, 16, 84, 5, 71, 23, 64, 65, 62, 72, 54, 83, 88, 90, 13, 47, 56, 1, 78, 2, 18, 48, 60, 9, 34, 40, 85, 29, 73, 57, 24, 42, 19, 12, 26, 70, 68, 67, 33, 11, 75] by [-0.697 -3.06 2.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 78f917b0-0168-4387-8e60-f6bc9f556f60 | mp-1392236 | Move atoms at indices [3, 0, 6, 13, 4, 7, 10, 9, 5, 12, 15] by [ 0.625 -2.013 -0.968] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... | data_image0
_chemical_formula_structural Mg2V2P2O10
_chemical_formula_sum "Mg2 V2 P2 O10"
_cell_length_a 5.306659
_cell_length_b 5.45143155
_cell_length_c 7.04879895
_cell_angle_alpha 105.51309762000001
_cell_angle_beta 104.48203936
_cell_angle_gamma 101.23646009
_space_g... |
MoveSelectedAtomsAction | 7d00d379-ab19-4e9f-b8e6-fc31221d03df | mp-5214 | Move atoms at indices [5, 19, 17, 12, 43, 34, 41, 7, 1, 22, 44, 11, 38, 45, 42, 15, 0, 25, 20, 36, 18, 47, 23, 39, 33, 6, 13, 21, 35, 2, 31, 32, 40, 46, 16, 29] by [-0.209 0.356 -2.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... | data_image0
_chemical_formula_structural Ti4Te12O32
_chemical_formula_sum "Ti4 Te12 O32"
_cell_length_a 9.53573741
_cell_length_b 9.53564435
_cell_length_c 9.53570518
_cell_angle_alpha 109.47124752
_cell_angle_beta 109.4706876
_cell_angle_gamma 109.47161738
_space_group_n... |
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