ZrU2C3
Alexandria ALEXAlex-ID: agm039983247 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
UC ZrUC2
2025-04-13 13:52:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039983247).
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 agm039983247
data_agm039983247
_cell_length_a 11.39689
_cell_length_b 10.86284
_cell_length_c 5.98615
_cell_angle_alpha 79.38979
_cell_angle_beta 69.52826
_cell_angle_gamma 31.08195
_cell_volume 348.08635
_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 0.91691 0.91691 0.08309 1.00000
Zr2 Zr 0.33309 0.33309 0.16691 1.00000
Zr3 Zr 0.16691 0.16691 0.33309 1.00000
Zr4 Zr 0.08309 0.08309 0.91691 1.00000
U1 U 0.00012 0.00012 0.49988 1.00000
U2 U 0.41629 0.41629 0.58371 1.00000
U3 U 0.83371 0.83371 0.66629 1.00000
U4 U 0.24988 0.24988 0.75012 1.00000
U5 U 0.75012 0.75012 0.24988 1.00000
U6 U 0.66629 0.66629 0.83371 1.00000
U7 U 0.58371 0.58371 0.41629 1.00000
U8 U 0.49988 0.49988 0.00012 1.00000
C1 C 0.66519 0.16762 0.83858 1.00000
C2 C 0.16762 0.66519 0.32861 1.00000
C3 C 0.58481 0.08238 0.41142 1.00000
C4 C 0.08238 0.58481 0.92139 1.00000
C5 C 0.49669 0.00331 0.00331 1.00000
C6 C 0.00331 0.49669 0.49669 1.00000
C7 C 0.92139 0.41142 0.08238 1.00000
C8 C 0.41142 0.92139 0.58481 1.00000
C9 C 0.32861 0.83858 0.16762 1.00000
C10 C 0.83858 0.32861 0.66519 1.00000
C11 C 0.75331 0.24669 0.24669 1.00000
C12 C 0.24669 0.75331 0.75331 1.00000
