CeAlOs
Alexandria ALEXAlex-ID: agm017804044 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
CeAlOs
2024-12-08 02:35:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017804044).
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 agm017804044
data_agm017804044
_cell_length_a 7.05522
_cell_length_b 4.12272
_cell_length_c 12.07706
_cell_angle_alpha 90.00000
_cell_angle_beta 89.58193
_cell_angle_gamma 90.00000
_cell_volume 351.27235
_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 0.46645 0.75000 0.12658 1.00000
Ce2 Ce 0.03691 0.25000 0.78795 1.00000
Ce3 Ce 0.96309 0.75000 0.21205 1.00000
Ce4 Ce 0.33524 0.75000 0.41793 1.00000
Ce5 Ce 0.53355 0.25000 0.87342 1.00000
Ce6 Ce 0.66476 0.25000 0.58207 1.00000
Al1 Al 0.99902 0.25000 0.41638 1.00000
Al2 Al 0.13626 0.25000 0.03931 1.00000
Al3 Al 0.36560 0.75000 0.69985 1.00000
Al4 Al 0.86374 0.75000 0.96069 1.00000
Al5 Al 0.63440 0.25000 0.30015 1.00000
Al6 Al 0.00098 0.75000 0.58362 1.00000
Os1 Os 0.23556 0.25000 0.58717 1.00000
Os2 Os 0.74251 0.75000 0.74920 1.00000
Os3 Os 0.23884 0.75000 0.91658 1.00000
Os4 Os 0.76444 0.75000 0.41283 1.00000
Os5 Os 0.76116 0.25000 0.08342 1.00000
Os6 Os 0.25749 0.25000 0.25080 1.00000
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