Ca2Os
Alexandria ALEXAlex-ID: agm005482704 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2549_spg8
Os Ca
2023-03-19 06:26:10.588495
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005482704).
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 agm005482704
data_agm005482704
_cell_length_a 6.02945
_cell_length_b 6.02945
_cell_length_c 8.09692
_cell_angle_alpha 75.99544
_cell_angle_beta 75.99544
_cell_angle_gamma 40.06606
_cell_volume 183.07583
_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
Ca1 Ca 0.30458 0.30458 0.79026 1.00000
Ca2 Ca 0.69542 0.69542 0.20974 1.00000
Ca3 Ca 0.00000 0.00000 0.50000 1.00000
Ca4 Ca 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.28707 0.28707 0.43496 1.00000
Os2 Os 0.71293 0.71293 0.56504 1.00000
Get direct link