Y2USb3
Alexandria ALEXAlex-ID: agm005756178 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
U2Sb U4Sb5 YSb
2023-08-29 23:06:30.736405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756178).
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 agm005756178
data_agm005756178
_cell_length_a 4.39186
_cell_length_b 4.39241
_cell_length_c 9.78180
_cell_angle_alpha 102.94629
_cell_angle_beta 102.94557
_cell_angle_gamma 90.12310
_cell_volume 178.95608
_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
Y1 Y 0.10159 0.10281 0.20851 1.00000
Y2 Y 0.76704 0.76828 0.53941 1.00000
U1 U 0.43406 0.43596 0.87396 1.00000
Sb1 Sb 0.93405 0.93597 0.87396 1.00000
Sb2 Sb 0.26815 0.26940 0.54165 1.00000
Sb3 Sb 0.60046 0.60170 0.20627 1.00000
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