Tc4Os3Ru2
Alexandria ALEXAlex-ID: agm005686144 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Tc2OsRu TcOs TcRu3
2023-06-29 03:54:50.532466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686144).
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 agm005686144
data_agm005686144
_cell_length_a 4.70355
_cell_length_b 7.69913
_cell_length_c 7.69913
_cell_angle_alpha 74.56990
_cell_angle_beta 82.86597
_cell_angle_gamma 82.86598
_cell_volume 265.46662
_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 0.51150 0.09879 0.80302 1.00000
Tc2 Tc 0.98850 0.19698 0.90121 1.00000
Tc3 Tc 0.48850 0.90121 0.19698 1.00000
Tc4 Tc 0.01150 0.80302 0.09879 1.00000
Tc5 Tc 0.65767 0.86335 0.57055 1.00000
Tc6 Tc 0.84233 0.42945 0.13665 1.00000
Tc7 Tc 0.34233 0.13665 0.42945 1.00000
Tc8 Tc 0.15767 0.57055 0.86335 1.00000
Os1 Os 0.07540 0.92113 0.74981 1.00000
Os2 Os 0.42460 0.25019 0.07887 1.00000
Os3 Os 0.92460 0.07887 0.25019 1.00000
Os4 Os 0.57540 0.74981 0.92113 1.00000
Os5 Os 0.25000 0.41059 0.58941 1.00000
Os6 Os 0.75000 0.58942 0.41059 1.00000
Ru1 Ru 0.17565 0.76202 0.47056 1.00000
Ru2 Ru 0.32435 0.52944 0.23798 1.00000
Ru3 Ru 0.82435 0.23798 0.52944 1.00000
Ru4 Ru 0.67565 0.47056 0.76202 1.00000
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