U5TcC4
Alexandria ALEXAlex-ID: agm003654504 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_7_spg59
U2C U2Tc U4TcC4
2022-04-06 07:00:12.490782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003654504).
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 agm003654504
data_agm003654504
_cell_length_a 5.90428
_cell_length_b 6.70276
_cell_length_c 7.68615
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.17910
_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
U1 U 0.27472 0.80058 0.82726 1.00000
U2 U 0.27472 0.19942 0.82726 1.00000
U3 U 0.89845 0.50000 0.00000 1.00000
U4 U 0.27472 0.80058 0.17274 1.00000
U5 U 0.27472 0.19942 0.17274 1.00000
U6 U 0.72528 0.69942 0.32726 1.00000
U7 U 0.72528 0.30058 0.32726 1.00000
U8 U 0.10155 0.00000 0.50000 1.00000
U9 U 0.72528 0.30058 0.67274 1.00000
U10 U 0.72528 0.69942 0.67274 1.00000
Tc1 Tc 0.77992 0.00000 0.00000 1.00000
Tc2 Tc 0.22008 0.50000 0.50000 1.00000
C1 C 0.91988 0.00000 0.75961 1.00000
C2 C 0.60434 0.73602 0.00000 1.00000
C3 C 0.60434 0.26398 0.00000 1.00000
C4 C 0.91988 0.00000 0.24039 1.00000
C5 C 0.08012 0.50000 0.25961 1.00000
C6 C 0.39566 0.76398 0.50000 1.00000
C7 C 0.39566 0.23602 0.50000 1.00000
C8 C 0.08012 0.50000 0.74039 1.00000
Get direct link