CeY2P3
Alexandria ALEXAlex-ID: agm040411005 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
CeY2P3
2025-01-01 03:08:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040411005).
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 agm040411005
data_agm040411005
_cell_length_a 13.39263
_cell_length_b 12.76928
_cell_length_c 6.98692
_cell_angle_alpha 79.50269
_cell_angle_beta 69.63562
_cell_angle_gamma 30.86169
_cell_volume 557.49287
_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 0.91665 0.91665 0.08335 1.00000
Ce2 Ce 0.33335 0.33335 0.16665 1.00000
Ce3 Ce 0.16665 0.16665 0.33335 1.00000
Ce4 Ce 0.08335 0.08335 0.91665 1.00000
Y1 Y 0.00001 0.00001 0.49999 1.00000
Y2 Y 0.41665 0.41665 0.58335 1.00000
Y3 Y 0.83335 0.83335 0.66665 1.00000
Y4 Y 0.24999 0.24999 0.75001 1.00000
Y5 Y 0.75001 0.75001 0.24999 1.00000
Y6 Y 0.66665 0.66665 0.83335 1.00000
Y7 Y 0.58335 0.58335 0.41665 1.00000
Y8 Y 0.49999 0.49999 0.00001 1.00000
P1 P 0.66704 0.16644 0.83239 1.00000
P2 P 0.16644 0.66704 0.33413 1.00000
P3 P 0.58296 0.08356 0.41761 1.00000
P4 P 0.08356 0.58296 0.91587 1.00000
P5 P 0.50123 0.99877 0.99877 1.00000
P6 P 0.99877 0.50123 0.50123 1.00000
P7 P 0.91587 0.41761 0.08356 1.00000
P8 P 0.41761 0.91587 0.58296 1.00000
P9 P 0.33413 0.83239 0.16644 1.00000
P10 P 0.83239 0.33413 0.66704 1.00000
P11 P 0.74877 0.25123 0.25123 1.00000
P12 P 0.25123 0.74877 0.74877 1.00000
