Ce2Ga3Os
Alexandria ALEXAlex-ID: agm005697263 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2224_spg70
CeGa2 CeGaOs
2023-08-18 01:04:06.839019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697263).
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 agm005697263
data_agm005697263
_cell_length_a 8.81548
_cell_length_b 8.98819
_cell_length_c 8.46671
_cell_angle_alpha 75.20884
_cell_angle_beta 58.62772
_cell_angle_gamma 60.63363
_cell_volume 499.18208
_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
Ce1 Ce 0.87480 0.50000 0.25040 1.00000
Ce2 Ce 0.12480 1.00000 0.75040 1.00000
Ce3 Ce 0.87520 0.00000 0.24960 1.00000
Ce4 Ce 0.62520 0.50000 0.74960 1.00000
Ce5 Ce 0.36704 1.00000 0.26591 1.00000
Ce6 Ce 0.63296 0.00000 0.73409 1.00000
Ce7 Ce 0.38296 0.50000 0.23409 1.00000
Ce8 Ce 0.11704 0.50000 0.76591 1.00000
Ga1 Ga 0.33795 0.83225 0.98286 1.00000
Ga2 Ga 0.15307 0.16775 0.01714 1.00000
Ga3 Ga 0.82980 0.83225 0.01714 1.00000
Ga4 Ga 0.67918 0.16775 0.98286 1.00000
Ga5 Ga 0.41205 0.66775 0.51714 1.00000
Ga6 Ga 0.59693 0.33225 0.48286 1.00000
Ga7 Ga 0.92020 0.66775 0.48286 1.00000
Ga8 Ga 0.41343 0.17314 0.50000 1.00000
Ga9 Ga 0.66343 0.67314 0.00000 1.00000
Ga10 Ga 0.33657 0.32686 1.00000 1.00000
Ga11 Ga 0.08657 0.82686 0.50000 1.00000
Ga12 Ga 0.07082 0.33225 0.51714 1.00000
Os1 Os 0.57501 0.84997 0.50000 1.00000
Os2 Os 0.17499 0.65003 1.00000 1.00000
Os3 Os 0.92499 0.15003 0.50000 1.00000
Os4 Os 0.82501 0.34997 0.00000 1.00000
