CsCdOs2
Alexandria ALEXAlex-ID: agm002813331 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Cs3Cd2 Cs3Cd8 Os
2016-11-04 23:06:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002813331).
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
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# CIF generated by HEAS from Alexandria entry agm002813331
data_agm002813331
_cell_length_a 4.59154
_cell_length_b 4.59154
_cell_length_c 10.61204
_cell_angle_alpha 77.50607
_cell_angle_beta 77.50607
_cell_angle_gamma 90.00000
_cell_volume 212.99743
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.75000 0.25000 0.50000 1.00000
Os1 Os 0.47614 0.12500 0.25000 1.00000
Os2 Os 0.27386 0.62500 0.25000 1.00000
Os3 Os 0.37500 0.52386 0.75000 1.00000
Os4 Os 0.87500 0.72614 0.75000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.25000 0.75000 0.50000 1.00000
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