Th5UC5
Alexandria ALEXAlex-ID: agm003673770 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
Th6C5 ThUC2 U2C
2022-04-09 10:30:03.374043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673770).
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 agm003673770
data_agm003673770
_cell_length_a 5.26195
_cell_length_b 6.40480
_cell_length_c 7.39682
_cell_angle_alpha 106.81318
_cell_angle_beta 90.00000
_cell_angle_gamma 114.25396
_cell_volume 215.54060
_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 0.66854 0.33709 0.32676 1.00000
Th2 Th 0.66901 0.33803 0.83587 1.00000
Th3 Th 0.00000 0.00000 0.50000 1.00000
Th4 Th 0.33099 0.66197 0.16413 1.00000
Th5 Th 0.33146 0.66291 0.67324 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
C1 C 0.83975 0.67951 0.15278 1.00000
C2 C 0.85408 0.70817 0.70356 1.00000
C3 C 0.50000 0.00000 0.00000 1.00000
C4 C 0.14592 0.29183 0.29644 1.00000
C5 C 0.16025 0.32049 0.84722 1.00000
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