Re2Tc4Os3
Alexandria ALEXAlex-ID: agm005650776 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_295_spg15
Tc2Os Re5Os3 Re5Os2
2023-06-30 22:07:41.064716
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650776).
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 agm005650776
data_agm005650776
_cell_length_a 4.72580
_cell_length_b 7.75013
_cell_length_c 7.75092
_cell_angle_alpha 73.97388
_cell_angle_beta 96.79042
_cell_angle_gamma 96.76481
_cell_volume 269.85477
_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
Re1 Re 0.65860 0.13750 0.43095 1.00000
Re2 Re 0.84123 0.56902 0.86249 1.00000
Re3 Re 0.34140 0.86250 0.56905 1.00000
Re4 Re 0.15877 0.43098 0.13751 1.00000
Tc1 Tc 0.50563 0.90551 0.18932 1.00000
Tc2 Tc 0.99430 0.81064 0.09448 1.00000
Tc3 Tc 0.49437 0.09449 0.81068 1.00000
Tc4 Tc 0.00570 0.18936 0.90552 1.00000
Tc5 Tc 0.18264 0.23446 0.53820 1.00000
Tc6 Tc 0.31718 0.46178 0.76558 1.00000
Tc7 Tc 0.81736 0.76554 0.46180 1.00000
Tc8 Tc 0.68282 0.53822 0.23442 1.00000
Os1 Os 0.09178 0.08345 0.25700 1.00000
Os2 Os 0.40805 0.74300 0.91654 1.00000
Os3 Os 0.90822 0.91655 0.74300 1.00000
Os4 Os 0.59195 0.25700 0.08346 1.00000
Os5 Os 0.25022 0.58641 0.41367 1.00000
Os6 Os 0.74978 0.41359 0.58633 1.00000
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