Zr3(UC2)2
Alexandria ALEXAlex-ID: agm005689536 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Zr5UC6 Zr(UC)2 U
2023-06-26 20:03:47.303916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689536).
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 agm005689536
data_agm005689536
_cell_length_a 3.30394
_cell_length_b 5.69837
_cell_length_c 7.81365
_cell_angle_alpha 71.92163
_cell_angle_beta 77.79435
_cell_angle_gamma 73.14789
_cell_volume 132.64256
_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
Zr2 Zr 0.21875 0.38205 0.18046 1.00000
Zr3 Zr 0.78125 0.61795 0.81954 1.00000
U1 U 0.58286 0.24642 0.58787 1.00000
U2 U 0.41714 0.75358 0.41213 1.00000
C1 C 0.81577 0.06330 0.30516 1.00000
C2 C 0.18423 0.93670 0.69484 1.00000
C3 C 0.39740 0.31012 0.89507 1.00000
C4 C 0.60260 0.68988 0.10493 1.00000
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