LaCe2(TeN)2
Alexandria ALEXAlex-ID: agm004545331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_13_spg12
LaTe Ce2TeN2
2022-06-22 22:50:38.971295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545331).
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 agm004545331
data_agm004545331
_cell_length_a 4.07057
_cell_length_b 6.87962
_cell_length_c 7.18940
_cell_angle_alpha 69.15735
_cell_angle_beta 73.55499
_cell_angle_gamma 72.79193
_cell_volume 176.13207
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.19172 0.39601 0.22055 1.00000
Ce2 Ce 0.80828 0.60399 0.77945 1.00000
Te1 Te 0.57383 0.21268 0.63965 1.00000
Te2 Te 0.42617 0.78732 0.36035 1.00000
N1 N 0.20731 0.66114 0.92423 1.00000
N2 N 0.79269 0.33886 0.07577 1.00000
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