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 |
|---|---|---|---|---|---|
MoveAtomAction | 4584864e-64ce-4f52-aefb-4ee08fa36112 | mp-849436 | Move the atom at index 25 by [-2.138 1.235 -0.529] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
MoveAtomAction | a96bd700-daee-4c33-b0c9-d94d556c0b52 | mp-1306534 | Move the atom at index 3 by [-1.32 -1.051 -0.182] angstrom in the cif file. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... |
MoveAtomAction | d6bb7abc-ca18-4384-a254-b1ab51b1ea81 | mp-1106190 | Move the atom at index 1 by [ 0.256 -0.722 -2.806] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
MoveAtomAction | ae615ae8-c9e9-4c90-8e89-7dce252e2d63 | mp-1027627 | Move the atom at index 7 by [-0.572 3.935 1.012] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
MoveAtomAction | 91deba45-8ce9-4051-9244-5a2ad993137c | mp-695175 | Move the atom at index 81 by [-3.068 1.692 0.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... |
MoveAtomAction | d37e3a31-08f2-498d-b0b5-0c1d2ba845f4 | mp-770527 | Move the atom at index 11 by [-1.037 -1.729 -1.557] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 442b9c58-8cf1-403e-87b8-1a66b30abdc0 | mp-885434 | Move the atom at index 3 by [-1.564 -1.309 -0.755] 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... |
MoveAtomAction | dd498836-5d5e-4330-8473-2ae4776ab794 | mp-755181 | Move the atom at index 4 by [-0.484 2.272 2.009] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
MoveAtomAction | 46128ad2-7218-4c7e-8b74-3810deabd1b0 | mp-573073 | Move the atom at index 57 by [ 0.207 -0.371 3.339] 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_... |
MoveAtomAction | 61d8c7d5-bbdd-4efa-aeba-27a8c6d689fd | mp-1095343 | Move the atom at index 6 by [-1.383 -2.577 2.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 8259725a-62f3-49f2-b10a-88e36b8c2742 | mp-861293 | Move the atom at index 26 by [-2.838 2.298 1.54 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... |
MoveAtomAction | 2b10faa2-bbf2-4086-914c-16ccccf6ae25 | mp-989647 | Move the atom at index 11 by [3.104 0.514 0.973] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | b1ca33d9-0347-443c-aab8-cadf3618179f | mp-776680 | Move the atom at index 9 by [ 1.241 -1.181 -3.372] angstrom in the cif file. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... |
MoveAtomAction | 73d66aae-bb98-4e34-980f-a58a209fdda8 | mp-756803 | Move the atom at index 2 by [ 1.647 1.072 -2.524] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... |
MoveAtomAction | 7882e176-a5c6-4a6d-979d-1b451e77803a | mp-1111700 | Move the atom at index 5 by [ 2.498 2.223 -1.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
MoveAtomAction | 7a02747d-b618-4dc1-8ab6-bd106143a2dd | mp-1232277 | Move the atom at index 14 by [ 2.854 0.495 -2.634] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... |
MoveAtomAction | 5a1e1c2a-f28e-4ed4-9cc9-6b209d205e0a | mp-554072 | Move the atom at index 5 by [ 2.996 4.06 -1.815] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... |
MoveAtomAction | dc3841db-025c-4f42-9423-742cfc90ea46 | mp-1029153 | Move the atom at index 5 by [ 0.594 -0.431 -1.746] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
MoveAtomAction | be77023b-af66-4ef1-9e8c-2202f438b283 | mp-997504 | Move the atom at index 12 by [ 0.752 -1.793 1.272] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... |
MoveAtomAction | 8847fdd3-3ce5-42cd-938d-1c97bc6dde74 | mp-2241417 | Move the atom at index 3 by [-1.041 -6.21 -3.146] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... |
MoveAtomAction | 96564e11-d88c-4976-b8f5-6104547dbdc4 | mp-2230732 | Move the atom at index 11 by [ 0.616 -1.528 -1.899] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
MoveAtomAction | 8e014d65-aa6b-4328-b731-56eeef8ab6d4 | mp-561176 | Move the atom at index 17 by [ 0.823 -0.265 -0.605] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | e3499d7f-e46a-424b-8bbe-8eb0a1534fc1 | mp-759285 | Move the atom at index 3 by [0.583 0.028 1.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... |
MoveAtomAction | 1e95997b-ee90-4b31-95a3-65ffbde4615e | mp-1046918 | Move the atom at index 5 by [ 1.257 2.221 -0.306] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
MoveAtomAction | 3e9d29ff-c1ba-462c-8b3d-58f103aae81a | mp-1246600 | Move the atom at index 1 by [0.512 0.556 2.691] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 9b7ff9f2-e5b7-4020-903f-af9852767c5f | mp-571569 | Move the atom at index 9 by [-0.054 1.17 1.916] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... |
MoveAtomAction | 3da0cf66-c776-4a04-806f-98e6d3a9b8da | mp-772150 | Move the atom at index 22 by [-1.041 -3.47 -0.706] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... |
MoveAtomAction | c4cf5635-df35-48dd-bc79-ee085e71d938 | mp-2232113 | Move the atom at index 14 by [ 2.453 -3.081 -1.744] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... |
MoveAtomAction | 02c48fd9-2da5-48af-b379-c420f551f5aa | mp-766004 | Move the atom at index 18 by [-2.106 0.379 -0.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
MoveAtomAction | 38ad74c0-5728-47b7-8206-517d2f74e0ac | mp-2230732 | Move the atom at index 13 by [-0.468 -3.398 -2.203] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
MoveAtomAction | 6521dbb0-25ed-4c2c-884d-e7013bf3d17b | mp-2713621 | Move the atom at index 67 by [-0.76 -0.618 -0.924] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveAtomAction | 1dedc4a1-7a12-466d-9ce2-920c21dff0c6 | mp-1207428 | Move the atom at index 3 by [ 2.634 0.248 -3.119] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | cd26f310-eac9-4f8b-9ff6-c811d26947d8 | mp-1194492 | Move the atom at index 21 by [-5.499 0.017 4.28 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 9e43673f-dad2-43da-a021-22f783ee3a70 | mp-850445 | Move the atom at index 74 by [ 0.571 -0.074 -4.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... |
MoveAtomAction | 2a747152-7f6a-4f23-a604-be38010fc966 | mp-772149 | Move the atom at index 13 by [-2.022 -4.349 1.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... |
MoveAtomAction | d9e778e0-07a3-4f7a-a9b0-2b95a6c9f23d | mp-28481 | Move the atom at index 20 by [ 1.53 -0.49 0.209] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... |
MoveAtomAction | e362a0a9-9110-48e1-8613-0847b6cac203 | mp-765641 | Move the atom at index 22 by [ 1.75 5.706 -0.478] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | c535b17e-32dc-4f25-a621-764d3465d7d2 | mp-1192384 | Move the atom at index 12 by [ 1.303 -2.45 -0.968] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... |
MoveAtomAction | 6f2b68f7-bcd6-4c8c-9d11-7f15f95d95f7 | mp-1200475 | Move the atom at index 42 by [0.081 0.99 1.265] angstrom in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... |
MoveAtomAction | 7c8a10f3-7fbb-435a-bfa9-d7d998348f51 | mp-1205859 | Move the atom at index 1 by [ 0.499 -0.654 -1.165] angstrom in the cif file. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... |
MoveAtomAction | 495c4d2f-d6f5-4016-9bd4-7a7eccf4f2d4 | mp-1233985 | Move the atom at index 24 by [-0.027 -2.814 4.511] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... |
MoveAtomAction | 4b522b42-5ef3-46fe-87ce-a5e7c4752432 | mp-762220 | Move the atom at index 16 by [-3.743 -0.63 1.863] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | d758de25-3fe0-4492-92fd-92668ee52ee1 | mp-1191086 | Move the atom at index 7 by [-2.734 -0.139 3.762] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
MoveAtomAction | b96e05e8-453f-4146-bcb6-f2028cb18d87 | mp-754801 | Move the atom at index 4 by [ 0.785 -3.048 0.64 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
MoveAtomAction | f2312c95-2eea-45b7-be60-542a5c089bb9 | mp-540267 | Move the atom at index 1 by [-1.923 -0.071 -1.387] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... |
MoveAtomAction | 3e79f331-0454-4dd7-b13e-067c61b6d501 | mp-11609 | Move the atom at index 7 by [-1.153 -0.892 1.549] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 3c1946a7-cc95-4178-bedd-2c1ebbfe7adb | mp-753734 | Move the atom at index 3 by [3.528 0.631 1.176] 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... |
MoveAtomAction | ea885cbc-3970-4ea6-a2bf-a1e2ecdd2091 | mp-24473 | Move the atom at index 40 by [2.212 1.415 0.555] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 4417bc04-a9f1-4008-b29c-6a84432bb583 | mp-2230050 | Move the atom at index 16 by [-2.445 -2.637 3.536] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... |
MoveAtomAction | a3d9ee8e-e2e1-4bd3-90b4-5d00dc3d32d6 | mp-1516542 | Move the atom at index 5 by [-1.65 3.296 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
MoveAtomAction | 8b510824-e42b-42c1-9eab-5366a91fd7d8 | mp-553374 | Move the atom at index 7 by [-4.156 0.216 -4.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... |
MoveAtomAction | 53462a26-4dde-4ac5-98d8-4d4c79327833 | mp-1029063 | Move the atom at index 11 by [ 0.264 0.608 -0.587] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... |
MoveAtomAction | 2b2c6b6c-2d3c-42fb-91e4-8e6d72d3cdc6 | mp-1228248 | Move the atom at index 24 by [-1.366 -1.117 -1.519] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | a7bfd38d-bc7b-445f-a30a-24ec75f6b22f | mp-861986 | Move the atom at index 5 by [-0.324 2.132 -3.634] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveAtomAction | 67f68703-16fc-4d9b-bea5-80b9e3b6ecfc | mp-29717 | Move the atom at index 2 by [-0.842 2.57 0.362] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | b5205941-8e83-4521-8030-7ed26bd753fd | mp-1244893 | Move the atom at index 12 by [-0.044 0.516 1.162] angstrom in the cif file. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... |
MoveAtomAction | a7745399-3535-4cd7-beb6-fe33ebff95f3 | mp-26220 | Move the atom at index 6 by [-1.206 3.762 -3.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... |
MoveAtomAction | 33fc3e86-5de7-4d3f-aafc-e2d71d1e905f | mp-1026887 | Move the atom at index 1 by [ 1.415 -0.661 -0.173] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... |
MoveAtomAction | 442f4414-244f-44d0-a231-2fea824f0e13 | mp-1208367 | Move the atom at index 33 by [ 1.751 -2.897 2.358] angstrom in the cif file. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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... |
MoveAtomAction | d25c38af-ce6f-46dd-86d9-846a53c0bb84 | mp-1233593 | Move the atom at index 5 by [-2.785 -0.932 -4.931] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
MoveAtomAction | 6145acd0-4321-4352-9afd-9895b42b153a | mp-758323 | Move the atom at index 26 by [-2.021 2.022 -1.543] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
MoveAtomAction | c8cdd038-7cd0-4df9-80b2-b1202f329d49 | mp-1181784 | Move the atom at index 4 by [-1.835 -3.555 0.352] angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... |
MoveAtomAction | 666d7c70-b3b8-437f-bb8d-0d76ccda2a99 | mp-6192 | Move the atom at index 0 by [1.21 2.469 0.174] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
MoveAtomAction | 3c291f9b-d7e2-417f-bc3d-abb3e9554830 | mp-776235 | Move the atom at index 15 by [-2.668 -0.038 -1.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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_... |
MoveAtomAction | 51d87da4-3534-48bf-ad96-fe437fa267cf | mp-1206879 | Move the atom at index 8 by [ 4.208 3.9 -1.447] angstrom in the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... |
MoveAtomAction | 63ac2b30-4fd3-43e9-917b-b825efcd90f1 | mp-756638 | Move the atom at index 10 by [-2.146 0.181 3.967] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... |
MoveAtomAction | 07969266-296d-4e55-91df-783f19c3b491 | mp-567505 | Move the atom at index 7 by [2.685 3.742 0.119] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
MoveAtomAction | e77ce29b-94f8-49ab-ae63-caf3b45ef8b1 | mp-755181 | Move the atom at index 3 by [-0.848 1.987 3.624] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
MoveAtomAction | cb1768c1-76f0-4e70-8e16-27b3a24486cc | mp-559052 | Move the atom at index 43 by [-1.098 -2.901 -1.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... |
MoveAtomAction | ef9008c2-331c-4cf2-809c-23f8d8ed5215 | mp-1095574 | Move the atom at index 9 by [-3.194 0.09 2.264] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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... |
MoveAtomAction | 080fa138-7c31-444f-a938-69a5f14df58e | mp-1228452 | Move the atom at index 6 by [ 2.006 -0.625 1.637] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... |
MoveAtomAction | 8fa44b5b-cbd6-4473-b565-42eac022fccb | mp-1203334 | Move the atom at index 30 by [-3.326 0.639 0.491] angstrom in the cif file. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | b494e5e7-1490-43ee-96e7-a03ea6547883 | mp-753577 | Move the atom at index 0 by [-0.432 0.08 -3.459] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... |
MoveAtomAction | ecc305fa-ca36-46e3-8735-337d2792824e | mp-758186 | Move the atom at index 29 by [-1.262 -1.453 -2.165] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 8fe3f999-007f-46db-ae5c-9f79361a8969 | mp-1196543 | Move the atom at index 47 by [ 1.226 1.646 -0.71 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
MoveAtomAction | fbe26236-8fad-4f78-b097-dda303daaa90 | mp-625502 | Move the atom at index 20 by [-0.175 -3.201 1.854] 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... |
MoveAtomAction | 0900e54c-8a83-44ee-a1a4-59c07b90619e | mp-780492 | Move the atom at index 36 by [-0.51 -1.335 -4.116] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... |
MoveAtomAction | 0194c76e-f0bc-4e04-976a-b1ef87ad1ba1 | mp-1204112 | Move the atom at index 1 by [ 0.747 -0.077 2.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
MoveAtomAction | 2e07f989-b8dd-4f6c-a80a-823ffdc4f2ed | mp-29452 | Move the atom at index 3 by [-0.487 -2.108 4.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... |
MoveAtomAction | 7f2cb3e0-af59-4a92-91ce-fc94ba56891e | mp-1209131 | Move the atom at index 7 by [ 0.49 0.307 -0.414] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 3c24ae89-9ad6-4d70-85d6-e0277bec295a | mp-1245513 | Move the atom at index 32 by [ 1.525 -2.961 -0.159] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAtomAction | 5b3f4acf-1c5f-4613-bd70-870d5ba2bda9 | mp-1207969 | Move the atom at index 4 by [ 2.982 2.537 -1.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... |
MoveAtomAction | b5b0f22e-0f25-4896-8fcb-8bf2eba67038 | mp-773191 | Move the atom at index 27 by [-1.728 1.925 2.444] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... |
MoveAtomAction | 993b80fa-d18b-4cd9-a318-ec58e613cd9d | mp-776267 | Move the atom at index 20 by [-3.304 -3.087 0.062] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... |
MoveAtomAction | 3072e4df-d7e9-49cc-8210-c4401adc4b0a | mp-1103066 | Move the atom at index 4 by [-1.287 -2.663 -1.407] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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... |
MoveAtomAction | ce786952-e87b-49e2-bb88-efb7c5cbdf63 | mp-1019788 | Move the atom at index 32 by [ 2.301 -2.526 -2.095] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAtomAction | 13eb66b8-1dac-4653-bee0-d0d205b2e9bd | mp-23414 | Move the atom at index 1 by [ 0.624 -0.751 1.799] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... |
MoveAtomAction | fb92cd45-95ee-4023-8594-9e5ff94c67b8 | mp-1221127 | Move the atom at index 54 by [ 1.603 1.775 -1.011] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... |
MoveAtomAction | e6e2d90d-833f-40aa-95e7-83f98306f781 | mp-29075 | Move the atom at index 26 by [-0.022 1.447 0.467] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
MoveAtomAction | 3d451b7e-a147-446d-a5a1-be708bd155ed | mp-1239191 | Move the atom at index 19 by [ 0.117 2.854 -2.83 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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... |
MoveAtomAction | 68c70f93-b8f5-4d16-8ccb-594104593be4 | mp-769513 | Move the atom at index 38 by [ 2.804 2.555 -1.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 8bc050f1-d510-474a-a8b6-49f7bfac839e | mp-1228744 | Move the atom at index 65 by [-1.857 2.717 -0.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | c2ecf736-1b87-4680-8acb-32a9b58b5dc4 | mp-28092 | Move the atom at index 79 by [ 0.921 -0.517 0.048] angstrom in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveAtomAction | e540f851-f106-4739-9e89-aa2babc78d0b | mp-727103 | Move the atom at index 10 by [ 0.391 -2.567 4.638] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... |
MoveAtomAction | a17cd222-c191-49b1-940b-f0acf1da0f87 | mp-1245016 | Move the atom at index 42 by [1.97 2.885 0.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... |
MoveAtomAction | 2dd06181-c204-487a-879e-2b2805106391 | mp-1104301 | Move the atom at index 10 by [ 1.313 -1.101 1.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... |
MoveAtomAction | 391de41f-752f-4354-b404-08925a883176 | mp-1199395 | Move the atom at index 24 by [ 1.327 -3.458 -6.16 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... |
MoveAtomAction | 2f4d705e-d9ac-4ba6-80fa-c6e546c0f2f6 | mp-33546 | Move the atom at index 2 by [ 0.091 0.652 -0.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... |
MoveAtomAction | d78730b5-c5b1-49c1-a8be-6473431a14e6 | mp-757949 | Move the atom at index 5 by [ 1.661 -2.505 1.142] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | a82b1020-12c2-4bf0-bec3-1ce92102d679 | mp-2231666 | Move the atom at index 2 by [-1.248 -0.379 -0.219] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
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