Er2US3
Alexandria ALEXAlex-ID: agm005649901 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_417_spg8
US Er5S6 U2S
2023-08-25 03:57:34.096317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649901).
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 agm005649901
data_agm005649901
_cell_length_a 6.66946
_cell_length_b 6.66946
_cell_length_c 6.75612
_cell_angle_alpha 99.47303
_cell_angle_beta 99.47304
_cell_angle_gamma 120.05397
_cell_volume 245.59909
_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
Er1 Er 0.83334 0.16666 0.50000 1.00000
Er2 Er 0.33333 0.66666 0.00000 1.00000
Er3 Er 0.16773 0.83227 0.50000 1.00000
Er4 Er 0.49894 0.50107 0.50000 1.00000
U1 U 0.99964 0.00036 1.00000 1.00000
U2 U 0.66704 0.33296 1.00000 1.00000
S1 S 0.58086 0.91419 0.74683 1.00000
S2 S 0.08581 0.41914 0.25317 1.00000
S3 S 0.91687 0.58203 0.74631 1.00000
S4 S 0.24870 0.25021 0.74632 1.00000
S5 S 0.41797 0.08313 0.25369 1.00000
S6 S 0.74980 0.75130 0.25368 1.00000
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