UV3(CrN3)2
Alexandria ALEXAlex-ID: agm031878722 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
U4N7 Cr2N VN CrN
2024-10-15 04:25:21.489904
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031878722).
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 agm031878722
data_agm031878722
_cell_length_a 6.70088
_cell_length_b 6.70088
_cell_length_c 6.07322
_cell_angle_alpha 77.24821
_cell_angle_beta 77.24821
_cell_angle_gamma 26.35975
_cell_volume 117.92719
_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
U1 U 0.50000 0.50000 0.00000 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
V2 V 0.82483 0.82483 0.80590 1.00000
V3 V 0.17517 0.17517 0.19410 1.00000
Cr1 Cr 0.82853 0.82853 0.34401 1.00000
Cr2 Cr 0.17147 0.17147 0.65599 1.00000
N1 N 0.32774 0.32774 0.08379 1.00000
N2 N 0.66854 0.66854 0.42762 1.00000
N3 N 0.67226 0.67226 0.91621 1.00000
N4 N 0.99877 0.99877 0.72555 1.00000
N5 N 0.00123 0.00123 0.27445 1.00000
N6 N 0.33146 0.33146 0.57238 1.00000
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