Zr(U3C4)2
Alexandria ALEXAlex-ID: agm071976271 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_114_spg148
UC ZrUC2 UC2
2024-10-05 13:32:04.654942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071976271).
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 agm071976271
data_agm071976271
_cell_length_a 5.94152
_cell_length_b 6.19237
_cell_length_c 6.11603
_cell_angle_alpha 101.91678
_cell_angle_beta 97.71382
_cell_angle_gamma 100.19307
_cell_volume 213.26274
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.43630 0.85931 0.71060 1.00000
U2 U 0.84919 0.71606 0.42386 1.00000
U3 U 0.76021 0.43788 0.90115 1.00000
U4 U 0.56370 0.14069 0.28940 1.00000
U5 U 0.15081 0.28394 0.57614 1.00000
U6 U 0.23979 0.56212 0.09885 1.00000
C1 C 0.56066 0.48454 0.59738 1.00000
C2 C 0.43934 0.51546 0.40262 1.00000
C3 C 0.79537 0.06724 0.65039 1.00000
C4 C 0.07580 0.67103 0.76035 1.00000
C5 C 0.63562 0.79833 0.07018 1.00000
C6 C 0.20463 0.93276 0.34961 1.00000
C7 C 0.92420 0.32897 0.23965 1.00000
C8 C 0.36438 0.20167 0.92982 1.00000
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