CeWN2
Alexandria ALEXAlex-ID: agm005803028 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_229_spg62
CeWN2
2023-07-13 02:18:16.446059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803028).
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 agm005803028
data_agm005803028
_cell_length_a 3.25643
_cell_length_b 5.72400
_cell_length_c 10.92761
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 203.68899
_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 0.75000 0.07370 0.14360 1.00000
Ce2 Ce 0.25000 0.92630 0.85640 1.00000
Ce3 Ce 0.75000 0.57370 0.35640 1.00000
Ce4 Ce 0.25000 0.42630 0.64360 1.00000
W1 W 0.25000 0.56570 0.10053 1.00000
W2 W 0.25000 0.06570 0.39947 1.00000
W3 W 0.75000 0.43430 0.89947 1.00000
W4 W 0.75000 0.93430 0.60053 1.00000
N1 N 0.75000 0.24465 0.49212 1.00000
N2 N 0.25000 0.75535 0.50788 1.00000
N3 N 0.75000 0.74465 0.00788 1.00000
N4 N 0.25000 0.25535 0.99212 1.00000
N5 N 0.75000 0.16907 0.75306 1.00000
N6 N 0.25000 0.33093 0.25306 1.00000
N7 N 0.75000 0.66907 0.74694 1.00000
N8 N 0.25000 0.83093 0.24694 1.00000
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