Ce3AsP2
Alexandria ALEXAlex-ID: agm034600962 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
CeAs CeP
2025-01-19 02:38:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034600962).
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 agm034600962
data_agm034600962
_cell_length_a 13.71694
_cell_length_b 13.07870
_cell_length_c 7.16179
_cell_angle_alpha 79.48438
_cell_angle_beta 69.62880
_cell_angle_gamma 30.88682
_cell_volume 599.99996
_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 0.66797 0.16778 0.82594 1.00000
Ce2 Ce 0.16778 0.66797 0.33831 1.00000
Ce3 Ce 0.58203 0.08222 0.42406 1.00000
Ce4 Ce 0.08222 0.58203 0.91169 1.00000
Ce5 Ce 0.50614 0.99386 0.99386 1.00000
Ce6 Ce 0.99386 0.50614 0.50614 1.00000
Ce7 Ce 0.91169 0.42406 0.08222 1.00000
Ce8 Ce 0.42406 0.91169 0.58203 1.00000
Ce9 Ce 0.33831 0.82594 0.16778 1.00000
Ce10 Ce 0.82594 0.33831 0.66797 1.00000
Ce11 Ce 0.74386 0.25614 0.25614 1.00000
Ce12 Ce 0.25614 0.74386 0.74386 1.00000
As1 As 0.91661 0.91661 0.08339 1.00000
As2 As 0.33339 0.33339 0.16661 1.00000
As3 As 0.16661 0.16661 0.33339 1.00000
As4 As 0.08339 0.08339 0.91661 1.00000
P1 P 0.00061 0.00061 0.49939 1.00000
P2 P 0.41603 0.41603 0.58397 1.00000
P3 P 0.83397 0.83397 0.66603 1.00000
P4 P 0.24939 0.24939 0.75061 1.00000
P5 P 0.75061 0.75061 0.24939 1.00000
P6 P 0.66603 0.66603 0.83397 1.00000
P7 P 0.58397 0.58397 0.41603 1.00000
P8 P 0.49939 0.49939 0.00061 1.00000
