Cr3Os4
Alexandria ALEXAlex-ID: agm005486365 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_17_spg139
CrOs3 Cr
2023-03-19 11:52:43.180466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486365).
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 agm005486365
data_agm005486365
_cell_length_a 12.42082
_cell_length_b 12.42082
_cell_length_c 12.42082
_cell_angle_alpha 167.27713
_cell_angle_beta 167.27713
_cell_angle_gamma 18.03022
_cell_volume 92.93785
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.72201 0.72201 0.00000 1.00000
Cr3 Cr 0.27799 0.27799 0.00000 1.00000
Os1 Os 0.84758 0.84758 0.00000 1.00000
Os2 Os 0.57238 0.57238 0.00000 1.00000
Os3 Os 0.42762 0.42762 0.00000 1.00000
Os4 Os 0.15242 0.15242 0.00000 1.00000
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