Th6ScBi8
Alexandria ALEXAlex-ID: agm005998960 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_64_spg148
Th2Bi Th3Bi4 Sc5Bi3
2023-09-07 16:18:27.525344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998960).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005998960
data_agm005998960
_cell_length_a 8.48100
_cell_length_b 8.48100
_cell_length_c 8.48100
_cell_angle_alpha 68.46689
_cell_angle_beta 68.46689
_cell_angle_gamma 68.46689
_cell_volume 508.45462
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Th1 Th 0.08127 0.46258 0.69034 1.00000
Th2 Th 0.30966 0.91873 0.53742 1.00000
Th3 Th 0.53742 0.30966 0.91873 1.00000
Th4 Th 0.46258 0.69034 0.08127 1.00000
Th5 Th 0.69034 0.08127 0.46258 1.00000
Th6 Th 0.91873 0.53742 0.30966 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.17613 0.64708 0.90902 1.00000
Bi2 Bi 0.09098 0.82387 0.35292 1.00000
Bi3 Bi 0.35292 0.09098 0.82387 1.00000
Bi4 Bi 0.67139 0.67139 0.67139 1.00000
Bi5 Bi 0.32861 0.32861 0.32861 1.00000
Bi6 Bi 0.64708 0.90902 0.17613 1.00000
Bi7 Bi 0.90902 0.17613 0.64708 1.00000
Bi8 Bi 0.82387 0.35292 0.09098 1.00000
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