Th3Si2Os7
Alexandria ALEXAlex-ID: agm024280262 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Th(SiOs)2 Os ThOs2
2025-05-17 12:39:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024280262).
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 agm024280262
data_agm024280262
_cell_length_a 5.56879
_cell_length_b 5.56879
_cell_length_c 8.66696
_cell_angle_alpha 71.40647
_cell_angle_beta 108.59353
_cell_angle_gamma 120.21879
_cell_volume 215.97373
_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 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.85811 0.14189 0.57459 1.00000
Th3 Th 0.14189 0.85811 0.42541 1.00000
Si1 Si 0.66572 0.33428 0.99436 1.00000
Si2 Si 0.33428 0.66572 0.00564 1.00000
Os1 Os 0.50000 0.50000 0.50000 1.00000
Os2 Os 0.41936 0.07386 0.76422 1.00000
Os3 Os 0.92614 0.58064 0.76422 1.00000
Os4 Os 0.42117 0.57883 0.76627 1.00000
Os5 Os 0.58064 0.92614 0.23578 1.00000
Os6 Os 0.57883 0.42117 0.23373 1.00000
Os7 Os 0.07386 0.41936 0.23578 1.00000
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