Ce2Th3N4
Alexandria ALEXAlex-ID: agm005690753 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
CeTh5N6 CeTh2N3 Ce
2023-06-27 18:55:19.703775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690753).
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
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# CIF generated by HEAS from Alexandria entry agm005690753
data_agm005690753
_cell_length_a 3.61847
_cell_length_b 6.33431
_cell_length_c 8.04893
_cell_angle_alpha 75.65279
_cell_angle_beta 77.01007
_cell_angle_gamma 73.40381
_cell_volume 168.91362
_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 0.60706 0.17768 0.60820 1.00000
Ce2 Ce 0.39294 0.82232 0.39180 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.19848 0.40197 0.20106 1.00000
Th3 Th 0.80152 0.59803 0.79894 1.00000
N1 N 0.79576 0.10498 0.30349 1.00000
N2 N 0.20424 0.89502 0.69651 1.00000
N3 N 0.39567 0.30441 0.90425 1.00000
N4 N 0.60433 0.69559 0.09575 1.00000
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