TcOs3Ru
Alexandria ALEXAlex-ID: agm005772166 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5023_spg14
OsRu2 TcRu3 TcOs3
2023-07-06 01:38:14.516896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772166).
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 agm005772166
data_agm005772166
_cell_length_a 4.76678
_cell_length_b 7.00888
_cell_length_c 9.11482
_cell_angle_alpha 110.79872
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.67961
_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
Tc1 Tc 0.16552 0.95022 0.59916 1.00000
Tc2 Tc 0.66552 0.54978 0.90084 1.00000
Tc3 Tc 0.83448 0.04978 0.40084 1.00000
Tc4 Tc 0.33448 0.45022 0.09916 1.00000
Os1 Os 0.83487 0.45135 0.60103 1.00000
Os2 Os 0.66513 0.95135 0.10103 1.00000
Os3 Os 0.33229 0.64900 0.70049 1.00000
Os4 Os 0.83229 0.85100 0.79951 1.00000
Os5 Os 0.66771 0.35100 0.29951 1.00000
Os6 Os 0.16513 0.54865 0.39897 1.00000
Os7 Os 0.16651 0.34894 0.79966 1.00000
Os8 Os 0.83349 0.65106 0.20034 1.00000
Os9 Os 0.33487 0.04865 0.89897 1.00000
Os10 Os 0.16771 0.14900 0.20049 1.00000
Os11 Os 0.33349 0.84894 0.29966 1.00000
Os12 Os 0.66651 0.15106 0.70034 1.00000
Ru1 Ru 0.66432 0.74927 0.50016 1.00000
Ru2 Ru 0.33568 0.25073 0.49984 1.00000
Ru3 Ru 0.83568 0.24927 0.00016 1.00000
Ru4 Ru 0.16432 0.75073 0.99984 1.00000
