TbU2Sb3
Alexandria ALEXAlex-ID: agm017604339 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2552_spg62
U2Sb U4Sb5 TbSb
2025-04-14 08:34:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017604339).
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 agm017604339
data_agm017604339
_cell_length_a 6.21996
_cell_length_b 8.75644
_cell_length_c 13.15250
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 716.34743
_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
Tb1 Tb 0.75000 0.87545 0.08354 1.00000
Tb2 Tb 0.75000 0.37545 0.41646 1.00000
Tb3 Tb 0.25000 0.62455 0.58354 1.00000
Tb4 Tb 0.25000 0.12455 0.91646 1.00000
U1 U 0.75000 0.87559 0.74983 1.00000
U2 U 0.75000 0.37559 0.75017 1.00000
U3 U 0.75000 0.87689 0.41603 1.00000
U4 U 0.75000 0.37689 0.08397 1.00000
U5 U 0.25000 0.62311 0.91603 1.00000
U6 U 0.25000 0.12311 0.58397 1.00000
U7 U 0.25000 0.62441 0.24983 1.00000
U8 U 0.25000 0.12441 0.25017 1.00000
Sb1 Sb 0.75000 0.62605 0.58325 1.00000
Sb2 Sb 0.75000 0.12605 0.91675 1.00000
Sb3 Sb 0.75000 0.62596 0.91644 1.00000
Sb4 Sb 0.75000 0.12596 0.58356 1.00000
Sb5 Sb 0.75000 0.62578 0.25077 1.00000
Sb6 Sb 0.75000 0.12578 0.24923 1.00000
Sb7 Sb 0.25000 0.87422 0.75077 1.00000
Sb8 Sb 0.25000 0.37422 0.74923 1.00000
Sb9 Sb 0.25000 0.87404 0.41644 1.00000
Sb10 Sb 0.25000 0.37404 0.08356 1.00000
Sb11 Sb 0.25000 0.87395 0.08325 1.00000
Sb12 Sb 0.25000 0.37395 0.41675 1.00000
