Th3BiHOs
Alexandria ALEXAlex-ID: agm005034883 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_45_spg11
Th4BiOs2 ThH2 Th7Os3 ThBiH
2022-07-05 20:17:29.443935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005034883).
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 agm005034883
data_agm005034883
_cell_length_a 4.41194
_cell_length_b 8.33010
_cell_length_c 9.02818
_cell_angle_alpha 100.88378
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 325.83419
_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 0.25000 0.82899 0.43372 1.00000
Th2 Th 0.75000 0.89025 0.10812 1.00000
Th3 Th 0.75000 0.45848 0.16869 1.00000
Th4 Th 0.75000 0.17101 0.56628 1.00000
Th5 Th 0.25000 0.54152 0.83131 1.00000
Th6 Th 0.25000 0.10975 0.89188 1.00000
Bi1 Bi 0.75000 0.80360 0.70672 1.00000
Bi2 Bi 0.25000 0.19640 0.29328 1.00000
H1 H 0.25000 0.07912 0.61941 1.00000
H2 H 0.75000 0.92088 0.38059 1.00000
Os1 Os 0.25000 0.68230 0.13519 1.00000
Os2 Os 0.75000 0.31770 0.86481 1.00000
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