U3SbC2
Alexandria ALEXAlex-ID: agm005804774 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_39_spg63
U2C U4Sb5 UC
2023-08-07 08:41:18.204522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804774).
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 agm005804774
data_agm005804774
_cell_length_a 4.06154
_cell_length_b 7.00561
_cell_length_c 8.66055
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.85062
_cell_volume 235.84299
_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 0.60916 0.21832 0.04289 1.00000
U2 U 0.07573 0.15145 0.75000 1.00000
U3 U 0.60916 0.21832 0.45711 1.00000
U4 U 0.92427 0.84855 0.25000 1.00000
U5 U 0.39084 0.78168 0.95711 1.00000
U6 U 0.39084 0.78168 0.54289 1.00000
Sb1 Sb 0.23582 0.47165 0.25000 1.00000
Sb2 Sb 0.76418 0.52835 0.75000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.00000 0.00000 0.50000 1.00000
C3 C 0.50037 0.00074 0.25000 1.00000
C4 C 0.49963 0.99926 0.75000 1.00000
Get direct link