Ca2Ce4P3N2
Alexandria ALEXAlex-ID: agm004490945 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
Ca5P3 CeN Ca CeP
2022-06-18 03:24:46.669430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490945).
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 agm004490945
data_agm004490945
_cell_length_a 4.62170
_cell_length_b 4.62170
_cell_length_c 12.08761
_cell_angle_alpha 101.02137
_cell_angle_beta 101.02137
_cell_angle_gamma 90.00000
_cell_volume 248.57727
_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
Ca1 Ca 0.29751 0.29751 0.59502 1.00000
Ca2 Ca 0.70249 0.70249 0.40498 1.00000
Ce1 Ce 0.41786 0.91786 0.83573 1.00000
Ce2 Ce 0.91786 0.41786 0.83573 1.00000
Ce3 Ce 0.08214 0.58214 0.16427 1.00000
Ce4 Ce 0.58214 0.08214 0.16427 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.17284 0.17283 0.34567 1.00000
P3 P 0.82716 0.82717 0.65433 1.00000
N1 N 0.39899 0.39899 0.79798 1.00000
N2 N 0.60101 0.60101 0.20202 1.00000
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