Ce2ErN3
Alexandria ALEXAlex-ID: agm005659845 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
ErN CeN
2023-08-23 20:08:21.194362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659845).
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 agm005659845
data_agm005659845
_cell_length_a 6.09577
_cell_length_b 6.09577
_cell_length_c 6.10707
_cell_angle_alpha 99.56455
_cell_angle_beta 99.56457
_cell_angle_gamma 119.99260
_cell_volume 185.37359
_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 0.83335 0.16665 0.50000 1.00000
Ce2 Ce 0.33333 0.66667 1.00000 1.00000
Ce3 Ce 0.16649 0.83351 0.50000 1.00000
Ce4 Ce 0.50019 0.49981 0.50000 1.00000
Er1 Er 0.99991 0.00009 1.00000 1.00000
Er2 Er 0.66676 0.33324 1.00000 1.00000
N1 N 0.58934 0.92268 0.75704 1.00000
N2 N 0.07731 0.41065 0.24296 1.00000
N3 N 0.91458 0.58499 0.75510 1.00000
N4 N 0.25165 0.24790 0.75508 1.00000
N5 N 0.41501 0.08542 0.24491 1.00000
N6 N 0.75210 0.74836 0.24492 1.00000
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