Ce3Bi2As
Alexandria ALEXAlex-ID: agm005759241 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
CeBi CeAs
2023-08-07 05:53:57.212294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759241).
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 agm005759241
data_agm005759241
_cell_length_a 7.75239
_cell_length_b 7.75239
_cell_length_c 14.09097
_cell_angle_alpha 100.59642
_cell_angle_beta 100.59642
_cell_angle_gamma 109.36061
_cell_volume 757.47894
_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 0.16357 0.68106 0.82561 1.00000
Ce2 Ce 0.66204 0.14455 0.82561 1.00000
Ce3 Ce 0.08643 0.06894 0.67439 1.00000
Ce4 Ce 0.58796 0.60545 0.67439 1.00000
Ce5 Ce 0.02109 0.52109 0.50000 1.00000
Ce6 Ce 0.47891 0.97891 0.50000 1.00000
Ce7 Ce 0.39455 0.41204 0.32561 1.00000
Ce8 Ce 0.93106 0.91357 0.32561 1.00000
Ce9 Ce 0.85545 0.33796 0.17439 1.00000
Ce10 Ce 0.31894 0.83643 0.17439 1.00000
Ce11 Ce 0.22891 0.22891 0.00000 1.00000
Ce12 Ce 0.77109 0.77109 1.00000 1.00000
Bi1 Bi 0.99757 0.49757 0.99515 1.00000
Bi2 Bi 0.41965 0.41965 0.83929 1.00000
Bi3 Bi 0.83035 0.33035 0.66071 1.00000
Bi4 Bi 0.25243 0.25243 0.50485 1.00000
Bi5 Bi 0.74757 0.74757 0.49515 1.00000
Bi6 Bi 0.66965 0.16965 0.33929 1.00000
Bi7 Bi 0.58035 0.58035 0.16071 1.00000
Bi8 Bi 0.50243 0.00243 0.00485 1.00000
As1 As 0.91659 0.91659 0.83319 1.00000
As2 As 0.33341 0.83341 0.66681 1.00000
As3 As 0.16659 0.66659 0.33319 1.00000
As4 As 0.08341 0.08341 0.16681 1.00000
