TbCe2N3
Alexandria ALEXAlex-ID: agm040688520 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Tb5CeN6 CeN
2025-04-15 07:24:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040688520).
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 agm040688520
data_agm040688520
_cell_length_a 11.76288
_cell_length_b 11.21905
_cell_length_c 6.13932
_cell_angle_alpha 79.46225
_cell_angle_beta 69.66579
_cell_angle_gamma 30.87196
_cell_volume 378.44738
_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
Tb1 Tb 0.91672 0.91672 0.08328 1.00000
Tb2 Tb 0.33328 0.33328 0.16672 1.00000
Tb3 Tb 0.16672 0.16672 0.33328 1.00000
Tb4 Tb 0.08328 0.08328 0.91672 1.00000
Ce1 Ce 0.00033 0.00033 0.49967 1.00000
Ce2 Ce 0.41647 0.41647 0.58353 1.00000
Ce3 Ce 0.83353 0.83353 0.66647 1.00000
Ce4 Ce 0.24967 0.24967 0.75033 1.00000
Ce5 Ce 0.75033 0.75033 0.24967 1.00000
Ce6 Ce 0.66647 0.66647 0.83353 1.00000
Ce7 Ce 0.58353 0.58353 0.41647 1.00000
Ce8 Ce 0.49967 0.49967 0.00033 1.00000
N1 N 0.66589 0.16766 0.83394 1.00000
N2 N 0.16766 0.66589 0.33251 1.00000
N3 N 0.58411 0.08234 0.41606 1.00000
N4 N 0.08234 0.58411 0.91749 1.00000
N5 N 0.49907 0.00093 0.00093 1.00000
N6 N 0.00093 0.49907 0.49907 1.00000
N7 N 0.91749 0.41606 0.08234 1.00000
N8 N 0.41606 0.91749 0.58411 1.00000
N9 N 0.33251 0.83394 0.16766 1.00000
N10 N 0.83394 0.33251 0.66589 1.00000
N11 N 0.75093 0.24907 0.24907 1.00000
N12 N 0.24907 0.75093 0.75093 1.00000
