Ce2P2O
Alexandria ALEXAlex-ID: agm003397352 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1227_spg36
Ce3P4 CeP2 Ce2PO2
2022-02-11 11:16:32.079548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003397352).
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 agm003397352
data_agm003397352
_cell_length_a 4.09401
_cell_length_b 6.89588
_cell_length_c 7.65482
_cell_angle_alpha 90.00000
_cell_angle_beta 105.51045
_cell_angle_gamma 90.00000
_cell_volume 208.23906
_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 0.46180 0.38777 0.92360 1.00000
Ce2 Ce 0.82628 0.02980 0.65257 1.00000
Ce3 Ce 0.17372 0.52980 0.34743 1.00000
Ce4 Ce 0.53820 0.88777 0.07640 1.00000
P1 P 0.93831 0.68032 0.87662 1.00000
P2 P 0.82124 0.46562 0.64248 1.00000
P3 P 0.17876 0.96562 0.35752 1.00000
P4 P 0.06169 0.18032 0.12338 1.00000
O1 O 0.39702 0.07086 0.79404 1.00000
O2 O 0.60298 0.57086 0.20596 1.00000
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