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 | 89679bbe-5dd1-46a4-a8aa-809feb7bbdf8 | mp-771159 | Move atoms at indices [12, 4, 19] by [-0.184 -2.446 -0.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
MoveSelectedAtomsAction | 67db5801-5429-4e60-9c5d-5b409f6598c0 | mp-531238 | Move atoms at indices [21, 76, 67, 30, 27, 38, 0, 83, 43, 42, 5, 23, 81, 53, 32, 9, 31, 41, 47, 12, 6] by [0.03 0.71 0.38] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | bf7064e9-b204-4150-81bb-77fa774c4a1f | mp-6215 | Move atoms at indices [5, 6, 8, 2] by [-1.611 -2.157 1.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... |
MoveSelectedAtomsAction | 2bf45bf0-b077-4032-a908-534a07daeada | mp-676077 | Move atoms at indices [6, 2, 13, 7, 10, 0, 5, 11, 8] by [-0.72 0.748 0.577] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... |
MoveSelectedAtomsAction | c3bf9662-73d4-4d55-a4a5-92b57c26e418 | mp-1026730 | Move atoms at indices [1, 5, 2, 13, 15, 14, 7, 9, 0, 11, 3, 10, 12] by [-2.66 -0.556 -1.327] angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 75275656-cf66-47a1-9426-80002b2b081e | mp-1192912 | Move atoms at indices [13, 12, 2, 23, 26, 24, 15, 21, 10, 25, 17, 19] by [-1.489 0.258 -0.793] angstrom in the cif file. | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveSelectedAtomsAction | 65343655-2c33-4c56-b62d-3634dff71df4 | mp-774335 | Move atoms at indices [19, 46, 40, 10, 51, 64, 29, 39, 18, 54, 71, 76, 45, 42] by [ 1.003 -3.114 -2.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 | 1bf65eda-0dd0-4df3-8f23-295b3a2d72cf | mp-1026412 | Move atoms at indices [5, 3, 2, 9, 4, 1, 10, 8, 14, 12, 6, 7] by [ 1.476 2.388 -3.093] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | cc63d7a4-29b9-48c9-9d02-8241af635d24 | mp-637030 | Move atoms at indices [11, 3, 1, 10, 0, 7, 5, 9, 6, 12, 8] by [-1.556 2.285 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... |
MoveSelectedAtomsAction | 3b3e8f6b-8e93-401c-a828-a126555b7b70 | mp-699405 | Move atoms at indices [57, 4, 43, 32, 51, 39, 15, 50, 52, 23] by [-1.828 -3.749 -1.51 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... |
MoveSelectedAtomsAction | cea4e01a-4631-4f68-abf7-13866137fd8d | mp-25954 | Move atoms at indices [7, 26, 31, 2, 6, 5, 22, 15, 28, 30, 12, 3, 33, 29, 34, 14, 27, 13, 23, 9, 8, 21, 25, 24, 19, 11, 18, 4, 10] by [ 0.11 -0.82 1.111] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f321acbd-a069-4144-9afb-5da8cc5857f5 | mp-772524 | Move atoms at indices [9] by [-0.519 0.147 -1.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... |
MoveSelectedAtomsAction | 52fbf888-3f23-4044-abb8-65a2405f2e28 | mp-2218579 | Move atoms at indices [7] by [ 2.426 -0.281 -0.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9278d5c2-701c-458c-b115-2d730a6890b4 | mp-1218673 | Move atoms at indices [37, 45, 54, 30, 43, 8, 10, 53, 16, 34, 50, 1, 20, 14, 2, 31, 27, 48, 24, 51, 35, 22, 32, 36, 21, 46, 13, 12, 0, 33, 9, 6, 5, 4, 29, 11] by [ 1.32 -4.209 0.541] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... |
MoveSelectedAtomsAction | 80bff414-0374-42b0-a703-9510cd4ea616 | mp-557900 | Move atoms at indices [7, 54, 16, 30, 4, 36, 12, 34, 32, 8, 1, 46, 18, 2, 48, 14, 53, 51, 0, 39, 6, 9, 3, 41, 22, 49, 24, 13, 29, 10, 17, 25, 43, 20, 38, 42, 28, 33, 45, 26, 35, 19, 40, 50, 27, 52] by [-1.681 1.218 -1.975] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 8ad68fe5-7a8c-4811-9a88-c30f6ad1c613 | mp-510041 | Move atoms at indices [11, 18, 19, 16, 1, 3, 13, 0, 14, 10, 7] by [ 1.747 1.807 -2.177] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | 72915d19-336d-4087-957f-7e30023f9c3d | mp-1043418 | Move atoms at indices [11, 13, 3, 4, 19, 5, 12, 14, 9] by [ 0.356 1.053 -1.651] angstrom in the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 22d16c8a-d7e8-40e0-b017-c315c2eaec8e | mp-2217675 | Move atoms at indices [0, 10, 2] by [ 0.375 -1.149 0.631] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... |
MoveSelectedAtomsAction | f7f4243b-f266-4dd1-ace9-f41f8be80821 | mp-1190964 | Move atoms at indices [0, 12, 2] by [ 0.953 -0.744 -1.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
MoveSelectedAtomsAction | 920a3b27-cb6e-43b8-b354-acc34c6e002c | mp-754936 | Move atoms at indices [4, 8, 9, 3, 7] by [-2.651 -2.511 0.449] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... |
MoveSelectedAtomsAction | c4b3901d-f081-4fdc-b42d-e383cc014786 | mp-531064 | Move atoms at indices [59, 39, 60, 70, 36, 61, 47, 15, 37, 76, 68, 44, 82, 46, 77, 51, 45, 38, 21, 26, 12, 43, 13, 54, 67, 18, 79, 35, 30, 34, 64, 2, 53, 48, 25, 1, 31, 4, 85, 20, 80, 32, 27, 72, 33, 55, 24, 83, 52, 87, 81, 69, 14, 75, 7, 28, 66, 29, 22, 0, 42, 5, 65, 40, 41] by [-1.123 1.565 2.098] angstrom in the c... | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 | 2cfafea3-dd0e-40d3-9af8-ea1260a502a5 | mp-542012 | Move atoms at indices [29, 40, 3, 16, 20, 7, 22, 23, 17, 11, 24, 33, 41, 36, 25, 30, 15, 21, 27, 1, 14, 2, 0, 26, 31] by [ 2.491 2.672 -0.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... |
MoveSelectedAtomsAction | c00afa8d-e5fe-458a-ad64-bd46760a8a64 | mp-1224058 | Move atoms at indices [1, 17, 0, 3, 6, 2, 9, 7, 18, 10, 11, 16, 19, 4, 13, 5] by [ 3.29 -2.245 -1.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2883465b-500c-478d-8d6c-38972701c784 | mp-686618 | Move atoms at indices [54, 17, 62, 3, 76, 9, 24, 56] by [-1.793 -2.907 -2.001] angstrom in the cif file. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... |
MoveSelectedAtomsAction | e260a4ed-d280-4091-a2ce-921b2ac93513 | mp-1347506 | Move atoms at indices [19, 7, 12, 11, 4, 5, 3] by [-0.67 1.777 -0.229] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e7206944-2b24-473a-b6cd-9d19997cc846 | mp-1523289 | Move atoms at indices [10, 4, 1, 0, 8, 3, 12] by [0.274 3.102 1.103] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... |
MoveSelectedAtomsAction | 0ff20acb-c73f-4b33-bb4b-3de982998760 | mp-2647063 | Move atoms at indices [11, 5, 10, 3, 9, 7, 2] by [0.288 1.785 1.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 4ef8f49b-29bb-47c4-9a8c-e71dca573437 | mp-1207461 | Move atoms at indices [17, 39, 32, 7, 35, 28, 20, 3, 12, 34, 2, 23, 11, 5, 38, 37, 33, 13, 30, 0, 24, 18, 16, 27, 22, 31, 41, 15, 6, 4, 21, 25, 1, 36, 40] by [1.165 0.702 1.028] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 3740dce9-c0a0-4910-81e1-566e20b4a6a9 | mp-1210254 | Move atoms at indices [11, 3, 20, 25, 19, 14, 26, 1] by [3.64 0.95 0.224] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | 8377337c-79b2-4749-a464-a770d08b8ddc | mp-30464 | Move atoms at indices [13, 0, 4, 3, 7, 2, 8, 10, 9, 1, 6, 11, 5] by [-0.828 1.412 -0.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... |
MoveSelectedAtomsAction | 71a6111e-867a-4432-9cf4-3958b998e035 | mp-1205615 | Move atoms at indices [0, 7, 5, 4, 3, 8, 1, 9, 6] by [1.586 2.456 2.822] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | f95f9d0f-6c73-40c2-8f94-02930c42c391 | mp-1048316 | Move atoms at indices [3, 11, 6, 2, 10, 4, 12, 7, 8, 1] by [-2.399 -0.281 0.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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... |
MoveSelectedAtomsAction | 929b10a6-6a50-4ccd-a1b4-29a29751d3c9 | mp-1247511 | Move atoms at indices [0, 16, 3, 15, 22, 19, 6] by [-2.191 -3.185 0.975] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... |
MoveSelectedAtomsAction | 2f7e2533-3352-46e8-9257-a9425236c33e | mp-1235910 | Move atoms at indices [3, 14, 7, 6, 10, 16, 0, 13, 5] by [-1.174 2.374 -0.115] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... |
MoveSelectedAtomsAction | 5bfd2ad0-9382-45e8-b0d3-f01f5ba337b4 | mp-532413 | Move atoms at indices [61, 80, 2, 24, 57, 33, 97, 48, 92, 32, 19, 27, 40, 87, 93, 73, 90, 81, 65, 44, 47, 23, 91, 58, 10, 89, 7, 63, 45, 8, 94, 43, 68, 59, 9, 42, 69, 22, 36, 46, 70, 13, 26, 82, 20, 3, 84, 60, 54, 79, 66] by [ 0.369 -5.495 1.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... |
MoveSelectedAtomsAction | a21b0691-8a31-4a4e-9a1e-38975326234b | mp-769628 | Move atoms at indices [14, 25, 2, 12, 11, 13, 21, 15, 1, 28, 0, 7, 8, 29, 18, 10, 4, 6, 22, 24, 31, 27, 9, 17, 26] by [-0.635 -0.933 1.299] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... |
MoveSelectedAtomsAction | b25a25b6-85e7-469f-a904-88fb5585337a | mp-1041645 | Move atoms at indices [21, 0, 8, 5, 18, 12, 23, 6, 7, 16, 19, 9, 17, 3, 11, 14, 22, 1, 15, 2, 4, 13, 20, 10] by [-0.303 -3.222 -3.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 04562b3f-67fa-4aa5-ae99-db230354a574 | mp-1032153 | Move atoms at indices [4, 6, 1, 14, 8, 12, 3, 10, 2, 13, 7, 9, 0] by [ 0.996 -0.217 -3.216] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 6dfe21f8-2ffc-4ee2-b4e4-0950a4aa1641 | mp-1235662 | Move atoms at indices [13, 3, 7, 4, 12, 9, 14, 8, 10, 5, 6, 11, 1, 2, 0] by [-0.336 -1.468 -2.368] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... |
MoveSelectedAtomsAction | b603f527-3004-438b-b333-83de50f4583d | mp-1215797 | Move atoms at indices [3, 20, 1, 28, 4, 6, 12, 15, 7, 24, 26, 11, 0, 2, 8, 25, 19, 5, 22, 9, 10, 18, 14, 21, 17, 27, 16, 23] by [ 1.31 2.173 -0.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... |
MoveSelectedAtomsAction | 8494df60-a138-40db-9b85-1f4c65d8f80b | mp-1193732 | Move atoms at indices [13, 24, 23] by [-0.028 2.616 -4.841] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | ef9f3017-2d21-4a85-bdca-223b4a046ba2 | mp-7593 | Move atoms at indices [4, 0, 7, 11, 12, 6, 1, 13, 10, 15, 3, 5] by [-1.095 1.466 2.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... |
MoveSelectedAtomsAction | 6e347200-a468-4d49-8957-b28e8cfef98f | mp-26088 | Move atoms at indices [64, 13, 30, 40, 12, 47, 5, 6, 50, 10, 26, 45, 7, 1, 14, 29, 16, 34, 67, 61, 62, 49, 43, 41, 15, 36, 48, 44, 71, 17, 33, 69, 63, 70, 23] by [-2.03 -4.428 2.317] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | 271c0bf1-ffc2-4abc-b676-b7d78f14c77f | mp-978968 | Move atoms at indices [5, 0, 4, 2, 1] by [ 0.43 0.305 -0.283] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... |
MoveSelectedAtomsAction | 6d0d0820-e4e4-4bda-b939-f4a11238792d | mp-1181318 | Move atoms at indices [1] by [ 1.276 -0.869 0.448] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 059bdc0d-4d3c-46e3-96a3-38ddc4c20da9 | mp-557662 | Move atoms at indices [14, 11, 13, 22, 9, 29, 38, 7, 6, 12, 17, 18, 33, 1, 2, 27, 20, 34, 25, 28, 0, 37, 26, 36, 4, 16, 10, 8, 31] by [ 1. -1.526 -1.784] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... |
MoveSelectedAtomsAction | 7b23cfe5-742d-4b16-8385-032cdd07fe35 | mp-1045681 | Move atoms at indices [30, 15, 32, 62, 23, 85, 80, 49, 91, 9, 8, 74, 70, 28, 18, 21, 13, 45, 60, 42, 69, 4, 66, 52, 25, 58, 71, 68, 14, 1, 16, 7, 53, 12, 31, 75, 43, 26, 72, 41, 88, 64, 83, 22, 40, 50, 81, 6, 59, 61, 47, 17, 92, 87] by [-1.22 3.07 0.614] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
MoveSelectedAtomsAction | a454d5e0-af0a-4dde-a398-1ba3a9998263 | mp-778762 | Move atoms at indices [39, 12, 34, 45, 2, 62, 15, 57, 48, 28, 6, 54, 17, 37, 58, 13, 19, 24, 26, 0, 11, 10, 46, 9, 31, 56, 18, 43, 60, 33, 49, 64, 40, 35, 16, 4, 47, 44, 59, 5, 32, 27, 8, 51, 30, 7, 61, 41, 25, 55, 50, 29, 38, 63, 36, 1, 20, 21, 52, 14, 65] by [-3.731 0.458 -3.182] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... |
MoveSelectedAtomsAction | 284ffd14-467b-406a-b7a7-cc7a1abd2c3b | mp-1444506 | Move atoms at indices [10, 12, 7, 2, 5, 4, 11, 9, 6, 0] by [ 1.65 -0.59 -0.491] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... |
MoveSelectedAtomsAction | cb26a4a9-6827-41ef-9c69-cc7437a231c4 | mp-556361 | Move atoms at indices [31, 38, 6, 4, 13, 15, 28, 2, 36, 22, 8, 35, 7, 14, 25] by [-3.962 0.638 -0.949] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 6e735a53-0274-458d-aa51-1fa1e3dcbf72 | mp-1175713 | Move atoms at indices [30, 7, 27, 13, 29, 28, 12, 22, 9, 17, 6, 4, 26, 8, 31] by [ 0.23 2.559 -1.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... |
MoveSelectedAtomsAction | 4dc4bf41-6d72-4f77-9efa-eb0115317d6d | mp-1028157 | Move atoms at indices [12, 4, 0, 1, 5, 7, 6, 13, 15] by [ 2.071 2.857 -1.967] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | d5c73dc1-6791-43e6-a761-35d8ee8d140e | mp-1190549 | Move atoms at indices [20, 18, 0, 3, 8] by [ 2.906 -2.661 0.372] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... |
MoveSelectedAtomsAction | 40222f85-cfa3-479a-8d6b-86c85a5023a6 | mp-1304002 | Move atoms at indices [14, 26, 4, 16, 17, 24, 9, 18, 1, 7, 31, 5] by [-4.029 -1.599 1.296] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveSelectedAtomsAction | 0841631a-e86f-4f20-a54b-478247af868f | mp-1239179 | Move atoms at indices [8, 6, 5, 0, 15, 14] by [-0.923 0.944 -2.159] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 62e4929d-4a2a-404f-87a8-efd233d88a84 | mp-1173233 | Move atoms at indices [12, 4, 15, 10, 7, 19, 18, 9, 1] by [-0.439 0.629 1.284] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... |
MoveSelectedAtomsAction | 393cd8c9-1eba-481a-b34b-f8542361b0e6 | mp-1195660 | Move atoms at indices [30, 38, 59, 70, 20, 16, 15, 27, 5, 86, 79, 83, 67, 21, 29, 62, 91, 89, 46, 82, 80, 28, 73, 2, 48, 54, 74, 61, 26, 42, 11, 76, 81, 57, 49, 47, 9, 22, 85, 78, 51] by [ 0.522 -0.748 -4.657] 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 | 663de9ae-d900-4666-8cea-ab76eab3b098 | mp-1100732 | Move atoms at indices [2, 23, 22, 1, 12, 10, 8, 31, 16, 3, 18, 20, 5, 4, 0, 19, 21, 24, 28, 7, 15, 29, 11, 30, 26, 14] by [-3.049 -0.579 -1.367] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | dfbad41d-e6ef-4cbe-bc46-a4bac1d47e8a | mp-1189263 | Move atoms at indices [16, 5, 17, 11, 9, 1, 7] by [ 1.429 0.528 -0.682] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | d5fd1042-6d2a-44b6-9346-0054a84e10fe | mp-1113414 | Move atoms at indices [6, 7, 0, 1, 3, 5, 4, 9, 8, 2] by [-4.157 -2.29 0.588] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | b1522546-efe1-4698-a0c3-dc31aabc2d17 | mp-567194 | Move atoms at indices [63, 0, 7, 30, 23, 8, 39, 45, 27, 41, 36, 15, 13, 50, 59, 28, 53, 3, 38, 24, 22, 56, 75, 57, 67, 1, 66, 20, 34, 2, 58, 61, 5, 70, 9, 10] by [-2.744 -2.23 1.826] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 8e0ae0f4-8249-4081-b039-3f87a60f3d3f | mp-758705 | Move atoms at indices [38, 21, 11, 13, 41, 2, 10, 34, 15, 40, 0, 27, 1, 23, 3, 6, 28, 29, 7, 37, 43, 24, 12, 25, 36, 35, 16, 42, 9, 31] by [-0.429 1.728 1.722] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... |
MoveSelectedAtomsAction | aa4d4cb1-c7cc-40b7-973d-4cb8f0f42576 | mp-1221029 | Move atoms at indices [2, 41, 39, 14, 0, 29, 18, 1, 24, 16, 17, 34, 31, 10, 15, 36, 35, 6, 22, 25, 20, 13, 8, 37, 23, 33, 30, 40] by [ 2.086 -0.654 0.474] angstrom in the cif file. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 04abefc4-4be5-4bbf-8fcf-4ac63bdddf4f | mp-608522 | Move atoms at indices [81, 39, 6, 67, 16, 46, 20, 53, 36, 51, 1, 7, 52, 10, 59, 75, 55, 22, 62, 56, 14, 38, 37, 24, 84, 4, 63, 57, 71, 44, 48, 80, 18, 70, 72, 60, 45, 69, 33, 83, 2, 85, 9, 41, 23, 13, 82, 25, 5, 8, 58, 34, 42, 19, 40, 35, 78, 74, 32, 49, 31, 15, 3, 65, 28, 54, 66, 11, 47, 77, 17, 79, 26, 50, 29] by [-1... | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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... |
MoveSelectedAtomsAction | ed5d556d-8516-4cda-9daa-a364f459a449 | mp-607816 | Move atoms at indices [1, 3, 5, 2, 8, 10, 7, 6, 0, 4, 9] by [0.945 2.679 0.883] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | bf5058e1-ad40-4c30-91f3-e832fbb561f6 | mp-698712 | Move atoms at indices [21, 8, 16, 23, 29, 13, 26, 7, 0, 24, 9, 5, 15, 39, 33, 35, 37, 38, 30, 4, 27, 11, 17, 25, 36, 10, 22] by [-0.134 -2.495 -3.452] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... |
MoveSelectedAtomsAction | 19be42f7-53b9-4dc0-9770-cefe1dc3d10f | mp-1044670 | Move atoms at indices [12, 11, 5, 9, 6, 8, 1, 3, 13, 7] by [-0.124 1.11 1.003] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... |
MoveSelectedAtomsAction | fd6c6ad4-cddb-4dc4-b314-df5400b86124 | mp-773817 | Move atoms at indices [38, 17, 35, 1, 14, 3, 25, 32, 37, 36, 0, 21, 18, 7, 5, 13, 39, 12, 16, 22, 30, 2, 23, 29, 31, 9, 28, 26, 34, 8, 27, 10, 20, 24, 6] by [ 2.106 -1.162 -2.75 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... |
MoveSelectedAtomsAction | fb907e75-2453-406f-b67f-d06198c42ad8 | mp-569606 | Move atoms at indices [9, 12, 0, 1] by [-1.011 -1.755 -0.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | cf8510e8-e717-4315-91b6-6abd1346b5a4 | mp-3536 | Move atoms at indices [12, 6, 8, 5, 4, 0, 13, 10, 3, 11, 1, 2] by [ 0.425 -2.215 -1.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... |
MoveSelectedAtomsAction | e5e2fb4c-b605-4b88-844c-fadddb21ea12 | mp-767370 | Move atoms at indices [4, 22, 59, 27, 46, 57, 49, 1, 5, 34, 58, 26, 0, 54, 3, 42, 37, 35, 31, 17, 19, 16, 12, 53, 14, 43, 45, 38, 13, 33, 55, 24, 18, 20, 52, 9] by [-1.611 1.616 1.107] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 9e1e7a24-ce04-4233-92bf-40dea047db41 | mp-554704 | Move atoms at indices [23, 13, 17, 16, 11, 20] by [-0.109 -0.52 0.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | fa46e485-214e-403a-b17b-060f7f46473a | mp-1214440 | Move atoms at indices [5, 2, 3, 6, 1, 7, 4, 11, 10, 0] by [ 3.431 0.913 -0.958] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveSelectedAtomsAction | fbe9d4af-0046-4669-aa52-f14e909c8fb6 | mp-758242 | Move atoms at indices [1, 33, 28, 21, 5, 6, 15, 29, 18, 34, 4, 24, 30, 8, 14, 27, 11, 32, 10, 9, 35] by [-2.745 1.462 0.199] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... |
MoveSelectedAtomsAction | bbcfdc0e-973d-4659-8db4-0a0e1ec66b67 | mp-766011 | Move atoms at indices [3] by [-1.777 0.19 -0.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... |
MoveSelectedAtomsAction | 9dd4794a-8243-4106-9d04-7cf6fa7ecb5b | mp-1192939 | Move atoms at indices [16, 0, 3, 17, 12, 11, 20, 13, 21, 15, 14] by [-1.229 -0.285 -5.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveSelectedAtomsAction | 407986dc-09c8-4ada-adfb-6c60ff0827cc | mp-1191000 | Move atoms at indices [6, 13, 8, 11, 14, 9, 17, 2, 12, 0, 21, 4, 19, 15, 18, 1, 10] by [ 0.941 -2.232 -3.014] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveSelectedAtomsAction | c6eb005b-72a6-486e-8918-7cf35206dd3a | mp-767370 | Move atoms at indices [20, 9, 19, 17, 32, 4, 51, 27, 58, 22, 50, 24, 37, 36, 2, 21, 35, 23, 53, 44, 34, 41, 26, 39, 0, 29, 31, 59, 14, 18, 54, 11, 55, 3, 46, 38, 56, 60, 49, 15, 45, 42, 43, 13, 61] by [ 1.688 4.572 -1.023] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 368f5446-3aed-4b2c-b0d8-515a26fd86f5 | mp-36100 | Move atoms at indices [2, 12, 5, 4, 0, 9, 10, 1, 6, 3, 13, 8, 7] by [-0.68 -2.354 1.124] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... |
MoveSelectedAtomsAction | cdc2ff11-d844-413d-804a-130d6abdaa45 | mp-24598 | Move atoms at indices [58, 23, 15, 35, 55, 64, 54, 25, 67, 5, 53, 10, 2, 43, 41, 70, 12, 51, 39, 47, 65, 57, 45, 36, 3, 40, 31, 46, 19, 48, 28, 16, 14, 38, 22, 11] by [-0.927 -5.572 -0.905] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | d94f2f10-434a-472d-b078-99ee32b7bb88 | mp-641191 | Move atoms at indices [90, 84] by [ 4.316 -2.017 -0.21 ] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | b545f9cb-8996-46a8-877f-35d7d680b887 | mp-1173626 | Move atoms at indices [3, 1, 13] by [ 0.257 -1.127 1.429] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 20270fa6-177a-4b3f-ba53-d1f827bbb671 | mp-1191177 | Move atoms at indices [8, 17, 15, 9, 13, 3, 19, 16, 1, 22, 14, 10, 7, 2, 12, 6, 23] by [1.007 2.28 2.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... |
MoveSelectedAtomsAction | 5f6fbc6d-28fd-4d46-b0cc-665dce6088f7 | mp-34237 | Move atoms at indices [39] by [-0.088 1.073 1.987] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... |
MoveSelectedAtomsAction | 6bde4798-b700-4e93-9fc1-3823535862e4 | mp-1211273 | Move atoms at indices [13, 14, 7, 10, 9, 2, 18, 3, 17, 1] by [-0.854 -0.637 1.648] 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 | 55919681-84b9-400a-a2c8-df4dbddc39a4 | mp-2230683 | Move atoms at indices [15, 17, 3, 0, 18, 14, 9, 4, 11, 1, 6, 16] by [-0.32 0.234 -3.674] angstrom in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... |
MoveSelectedAtomsAction | ac8200c3-2646-4907-8d88-20b87a45bc3d | mp-1235023 | Move atoms at indices [2, 5, 13, 8, 12, 1, 6, 0, 14, 7, 9, 4, 11] by [ 0.709 -2.432 -5.117] angstrom in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... |
MoveSelectedAtomsAction | f67de5b6-3ea9-4404-8fc5-069135b4ff45 | mp-1211033 | Move atoms at indices [6] by [-2.317 3.142 -2.092] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... |
MoveSelectedAtomsAction | 8b98d7fe-4579-4c9f-92f7-a2abda25b863 | mp-1195660 | Move atoms at indices [71, 7, 58, 16, 11, 82, 15, 2, 54, 64, 35, 80, 29, 23, 6, 5, 53, 70, 30, 26, 79, 63, 87, 40, 24, 77, 75, 47, 8, 56, 49, 59, 45, 89, 55, 27, 41, 3, 81, 61, 25, 44, 69, 73, 91, 48, 4, 42, 34, 57, 83, 31, 50, 76, 18, 60, 13, 1, 12, 9, 39, 32, 17, 46, 43, 90, 0, 20, 65, 14, 19, 10, 85, 74, 66, 67, 36,... | 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 | 63872a30-101a-4841-b7d0-d04613b2386b | mp-20461 | Move atoms at indices [8] by [1.972 3.917 1.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... |
MoveSelectedAtomsAction | 1b2b49a4-93fa-44d2-9a92-5afec59da360 | mp-978968 | Move atoms at indices [5, 7, 8, 6] by [ 1.72 -0.643 0.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... |
MoveSelectedAtomsAction | 080260f6-8fc7-4cb5-a360-5a216ec21886 | mp-740754 | Move atoms at indices [21, 40, 31, 15, 0, 52, 25, 12, 46, 20, 37, 50, 24, 26, 23, 17, 32, 33, 29, 3, 39, 8, 28, 19, 45, 5, 13, 47, 42, 53, 1, 30] by [-1.33 0.474 -2.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2H16N6O30
_chemical_formula_sum "Sm2 H16 N6 O30"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_group... | data_image0
_chemical_formula_structural Sm2H16N6O30
_chemical_formula_sum "Sm2 H16 N6 O30"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_group... |
MoveSelectedAtomsAction | 716714af-7361-4a02-8d2a-7cbcd5934d9f | mp-686019 | Move atoms at indices [41, 7, 36, 6, 19, 42, 33, 21, 9, 14, 17, 20, 25, 2, 22, 40, 15, 0, 26, 32, 8, 1, 13, 24, 30, 28, 35, 5, 4, 10, 38, 16, 29, 23, 18, 12] by [-3.853 0.669 -1.439] angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Ti8O28
_chemical_formula_sum "Y8 Ti8 O28"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_name_H-M... | data_image0
_chemical_formula_structural Y8Ti8O28
_chemical_formula_sum "Y8 Ti8 O28"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_name_H-M... |
MoveSelectedAtomsAction | e597cbea-bf85-42ba-b5b1-c5281a14245e | mp-647812 | Move atoms at indices [4, 13, 50, 17, 27, 5, 24, 33, 49, 48, 14, 32, 12, 29, 7, 15, 3, 31] by [ 0.236 -0.471 0.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4C24O24
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cr4C24O24
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | d1558d79-9b86-499c-8c4c-877436da2780 | mp-699431 | Move atoms at indices [29, 10, 18, 24, 8, 12, 15, 26, 20, 27, 22, 16, 9, 6, 11, 14, 5, 7, 19, 25] by [-1.85 -0.238 -3.116] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | fcdc3f7f-2f38-4bd4-bbea-b020c8724895 | mp-1216188 | Move atoms at indices [43, 25, 47, 22, 6, 34, 48, 20, 10, 0, 27, 23, 51, 44, 28, 3, 24, 52, 35, 46, 33, 37, 5, 55, 9, 50, 42] by [ 4.148 -1.007 -0.577] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr37Mo15P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_name_H... | data_image0
_chemical_formula_structural Zr37Mo15P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_name_H... |
MoveSelectedAtomsAction | 1ff1a16c-9e6d-412b-8f7e-f6b5e89ef661 | mp-1041629 | Move atoms at indices [19, 2, 10, 17, 15, 11, 21, 18, 20, 3, 5, 16, 24, 26, 4, 9, 12, 22, 7, 23, 27, 6, 25, 13, 8, 1] by [ 1.1 -1.252 -0.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 | 73ab35d7-0a97-45df-971e-0e133aea447e | mp-505267 | Move atoms at indices [7, 6, 2, 4, 14, 17, 10, 3, 9, 16, 12, 5] by [ 1.855 -2.511 -2.107] angstrom in the cif file. | data_image0
_chemical_formula_structural Np4Si8Tc6
_chemical_formula_sum "Np4 Si8 Tc6"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_space... | data_image0
_chemical_formula_structural Np4Si8Tc6
_chemical_formula_sum "Np4 Si8 Tc6"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_space... |
MoveSelectedAtomsAction | e2944568-7c74-425f-9b9d-b367fed49e93 | mp-763174 | Move atoms at indices [13, 22, 7, 6, 3, 12, 10, 1, 18, 21, 17, 11, 4, 5, 23] by [0.071 1.19 0.462] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... |
MoveSelectedAtomsAction | d8256514-2586-4d6d-8382-0d3319a39a17 | mp-997504 | Move atoms at indices [16] by [-3.002 2.224 -0.354] 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... |
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