Ce2VSnN5
Alexandria ALEXAlex-ID: agm005155691 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Ce3(VN3)2 CeN2 SnN
2023-01-17 01:47:46.830689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155691).
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 agm005155691
data_agm005155691
_cell_length_a 3.35994
_cell_length_b 7.15482
_cell_length_c 10.19666
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.57997
_cell_volume 238.27248
_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 0.86100 0.72201 0.78775 1.00000
Ce2 Ce 0.11201 0.22401 0.70350 1.00000
Ce3 Ce 0.13900 0.27799 0.28775 1.00000
Ce4 Ce 0.88799 0.77599 0.20350 1.00000
V1 V 0.50637 0.01274 0.97072 1.00000
V2 V 0.49363 0.98726 0.47072 1.00000
Sn1 Sn 0.78637 0.57274 0.50309 1.00000
Sn2 Sn 0.21363 0.42726 0.00309 1.00000
N1 N 0.37557 0.75114 0.01126 1.00000
N2 N 0.69633 0.39266 0.86514 1.00000
N3 N 0.49424 0.98848 0.79187 1.00000
N4 N 0.28429 0.56858 0.65326 1.00000
N5 N 0.95329 0.90659 0.53738 1.00000
N6 N 0.62443 0.24886 0.51126 1.00000
N7 N 0.30367 0.60734 0.36514 1.00000
N8 N 0.50576 0.01152 0.29187 1.00000
N9 N 0.71571 0.43142 0.15326 1.00000
N10 N 0.04671 0.09341 0.03738 1.00000
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