Ce3Y(ZrP3)2
Alexandria ALEXAlex-ID: agm033402719 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_429_spg12
CeY2P3 CeZrP2 CeP
2025-03-09 05:31:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033402719).
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 agm033402719
data_agm033402719
_cell_length_a 8.82163
_cell_length_b 8.82163
_cell_length_c 7.90093
_cell_angle_alpha 76.99144
_cell_angle_beta 103.00856
_cell_angle_gamma 154.17513
_cell_volume 260.60591
_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 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.16537 0.83463 0.33246 1.00000
Ce3 Ce 0.83463 0.16537 0.66754 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.16869 0.83131 0.83683 1.00000
Zr2 Zr 0.83131 0.16869 0.16317 1.00000
P1 P 0.66695 0.33305 0.59769 1.00000
P2 P 0.32948 0.67052 0.92657 1.00000
P3 P 0.33305 0.66695 0.40231 1.00000
P4 P 0.99394 0.00606 0.24897 1.00000
P5 P 0.00606 0.99394 0.75103 1.00000
P6 P 0.67052 0.32948 0.07343 1.00000
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