Ta3Os2
Alexandria ALEXAlex-ID: agm005508165 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Ta3Os2
2023-03-20 13:13:05.034913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508165).
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
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# CIF generated by HEAS from Alexandria entry agm005508165
data_agm005508165
_cell_length_a 8.23577
_cell_length_b 7.36785
_cell_length_c 5.30101
_cell_angle_alpha 79.25903
_cell_angle_beta 61.51506
_cell_angle_gamma 39.22591
_cell_volume 168.81162
_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
Ta1 Ta 0.39451 0.39451 0.60549 1.00000
Ta2 Ta 0.60549 0.60549 0.39451 1.00000
Ta3 Ta 0.85549 0.85549 0.64451 1.00000
Ta4 Ta 0.64451 0.64451 0.85549 1.00000
Ta5 Ta 0.00000 0.00000 0.00000 1.00000
Ta6 Ta 0.25000 0.25000 0.25000 1.00000
Os1 Os 0.45386 0.45386 0.04614 1.00000
Os2 Os 0.04614 0.04614 0.45386 1.00000
Os3 Os 0.79614 0.79614 0.20386 1.00000
Os4 Os 0.20386 0.20386 0.79614 1.00000
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