ThUWC3
Alexandria ALEXAlex-ID: agm005039701 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_375_spg11
Th2C3 Th6C5 UWC2
2022-07-05 13:44:33.530274
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005039701).
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 agm005039701
data_agm005039701
_cell_length_a 3.58025
_cell_length_b 7.34156
_cell_length_c 7.99913
_cell_angle_alpha 97.12716
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 208.62923
_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
Th1 Th 0.75000 0.84029 0.83081 1.00000
Th2 Th 0.25000 0.15971 0.16919 1.00000
U1 U 0.25000 0.63693 0.16394 1.00000
U2 U 0.75000 0.36307 0.83606 1.00000
W1 W 0.25000 0.10869 0.59595 1.00000
W2 W 0.75000 0.89131 0.40405 1.00000
C1 C 0.25000 0.82172 0.50374 1.00000
C2 C 0.75000 0.87371 0.14722 1.00000
C3 C 0.75000 0.41962 0.11685 1.00000
C4 C 0.75000 0.17828 0.49626 1.00000
C5 C 0.25000 0.58038 0.88315 1.00000
C6 C 0.25000 0.12629 0.85278 1.00000
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