Ce2VCrN5
Alexandria ALEXAlex-ID: agm005164113 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
Ce3(CrN3)2 Ce3CrN6 VN
2023-01-17 01:18:10.982404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164113).
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 agm005164113
data_agm005164113
_cell_length_a 3.33097
_cell_length_b 6.86042
_cell_length_c 9.72253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.04993
_cell_volume 215.53161
_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 0.86067 0.72134 0.80331 1.00000
Ce2 Ce 0.12048 0.24096 0.67792 1.00000
Ce3 Ce 0.13933 0.27866 0.30331 1.00000
Ce4 Ce 0.87952 0.75904 0.17792 1.00000
V1 V 0.55575 0.11150 0.95721 1.00000
V2 V 0.44425 0.88850 0.45721 1.00000
Cr1 Cr 0.79073 0.58146 0.51232 1.00000
Cr2 Cr 0.20927 0.41854 0.01232 1.00000
N1 N 0.35700 0.71399 0.00548 1.00000
N2 N 0.68812 0.37624 0.88024 1.00000
N3 N 0.50031 0.00062 0.78966 1.00000
N4 N 0.29060 0.58121 0.65247 1.00000
N5 N 0.94693 0.89386 0.54536 1.00000
N6 N 0.64300 0.28601 0.50548 1.00000
N7 N 0.31188 0.62376 0.38024 1.00000
N8 N 0.49969 0.99938 0.28966 1.00000
N9 N 0.70940 0.41879 0.15247 1.00000
N10 N 0.05307 0.10614 0.04536 1.00000
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