CeZnPN
Alexandria ALEXAlex-ID: agm005191948 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1545_spg166
CeZnPN
2022-07-10 16:03:43.040892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005191948).
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 agm005191948
data_agm005191948
_cell_length_a 3.95799
_cell_length_b 3.95799
_cell_length_c 10.52191
_cell_angle_alpha 79.15905
_cell_angle_beta 79.15905
_cell_angle_gamma 60.00000
_cell_volume 139.34243
_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 0.62085 0.62085 0.13745 1.00000
Ce2 Ce 0.37915 0.37915 0.86255 1.00000
Zn1 Zn 0.80328 0.80328 0.59015 1.00000
Zn2 Zn 0.19672 0.19672 0.40985 1.00000
P1 P 0.11333 0.11333 0.66000 1.00000
P2 P 0.88667 0.88667 0.34000 1.00000
N1 N 0.69492 0.69492 0.91524 1.00000
N2 N 0.30508 0.30508 0.08476 1.00000
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