Tb5OsAu2
Alexandria ALEXAlex-ID: agm045720161 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_801_spg62
Tb5OsAu2
2025-02-03 08:31:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045720161).
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 agm045720161
data_agm045720161
_cell_length_a 7.54012
_cell_length_b 9.20525
_cell_length_c 11.82068
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 820.45816
_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
Tb1 Tb 0.54287 0.75000 0.50567 1.00000
Tb2 Tb 0.45713 0.25000 0.49433 1.00000
Tb3 Tb 0.04287 0.25000 0.99433 1.00000
Tb4 Tb 0.95713 0.75000 0.00567 1.00000
Tb5 Tb 0.82397 0.47136 0.41602 1.00000
Tb6 Tb 0.17603 0.52864 0.58398 1.00000
Tb7 Tb 0.32397 0.52864 0.08398 1.00000
Tb8 Tb 0.17603 0.97136 0.58398 1.00000
Tb9 Tb 0.67603 0.47136 0.91602 1.00000
Tb10 Tb 0.82397 0.02864 0.41602 1.00000
Tb11 Tb 0.67603 0.02864 0.91602 1.00000
Tb12 Tb 0.32397 0.97136 0.08398 1.00000
Tb13 Tb 0.66037 0.75000 0.22456 1.00000
Tb14 Tb 0.33963 0.25000 0.77544 1.00000
Tb15 Tb 0.16037 0.25000 0.27544 1.00000
Tb16 Tb 0.83963 0.75000 0.72456 1.00000
Tb17 Tb 0.14022 0.75000 0.31048 1.00000
Tb18 Tb 0.85978 0.25000 0.68952 1.00000
Tb19 Tb 0.64022 0.25000 0.18952 1.00000
Tb20 Tb 0.35978 0.75000 0.81048 1.00000
Os1 Os 0.93063 0.75000 0.49821 1.00000
Os2 Os 0.06937 0.25000 0.50179 1.00000
Os3 Os 0.43063 0.25000 0.00179 1.00000
Os4 Os 0.56937 0.75000 0.99821 1.00000
Au1 Au 0.93024 0.00757 0.16292 1.00000
Au2 Au 0.06976 0.99243 0.83708 1.00000
Au3 Au 0.43024 0.99243 0.33708 1.00000
Au4 Au 0.06976 0.50757 0.83708 1.00000
Au5 Au 0.56976 0.00757 0.66292 1.00000
Au6 Au 0.93024 0.49243 0.16292 1.00000
Au7 Au 0.56976 0.49243 0.66292 1.00000
Au8 Au 0.43024 0.50757 0.33708 1.00000
