ZrU2VN4
Alexandria ALEXAlex-ID: agm018907855 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
ZrUN2 UVN2
2024-06-27 09:50:42.277538
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018907855).
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 agm018907855
data_agm018907855
_cell_length_a 6.54758
_cell_length_b 6.54758
_cell_length_c 6.54758
_cell_angle_alpha 120.63896
_cell_angle_beta 118.95950
_cell_angle_gamma 90.35422
_cell_volume 199.02961
_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
Zr1 Zr 0.50000 0.50000 0.50000 1.00000
Zr2 Zr 0.50000 0.00000 0.00000 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
U2 U 0.00000 0.00000 0.00000 1.00000
U3 U 0.00000 0.00000 0.50000 1.00000
U4 U 0.00000 0.50000 0.00000 1.00000
V1 V 0.00000 0.50000 0.50000 1.00000
V2 V 0.50000 0.50000 0.00000 1.00000
N1 N 0.25227 0.73077 0.97850 1.00000
N2 N 0.25227 0.27377 0.52150 1.00000
N3 N 0.74773 0.72623 0.47850 1.00000
N4 N 0.74773 0.26923 0.02150 1.00000
N5 N 0.24592 0.73813 0.50779 1.00000
N6 N 0.73035 0.73813 0.99221 1.00000
N7 N 0.26965 0.26187 0.00779 1.00000
N8 N 0.75408 0.26187 0.49221 1.00000
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