Tc3Os4
Alexandria ALEXAlex-ID: agm005487026 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_106_spg139
TcOs3 TcOs
2023-03-18 02:53:48.895084
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487026).
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 agm005487026
data_agm005487026
_cell_length_a 10.08679
_cell_length_b 10.08679
_cell_length_c 10.08679
_cell_angle_alpha 161.46546
_cell_angle_beta 161.46546
_cell_angle_gamma 26.32869
_cell_volume 103.66237
_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 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.71241 0.71241 0.00000 1.00000
Tc3 Tc 0.28759 0.28759 0.00000 1.00000
Os1 Os 0.85712 0.85712 0.00000 1.00000
Os2 Os 0.57179 0.57179 0.00000 1.00000
Os3 Os 0.42821 0.42821 0.00000 1.00000
Os4 Os 0.14288 0.14288 0.00000 1.00000
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