LiY2US5
Alexandria ALEXAlex-ID: agm005152425 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
LiYS2 Y2S3 U2S3
2023-01-09 16:35:52.535925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152425).
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 agm005152425
data_agm005152425
_cell_length_a 3.87453
_cell_length_b 8.33847
_cell_length_c 11.84089
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.43423
_cell_volume 372.08399
_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
Li1 Li 0.51630 0.03260 0.97496 1.00000
Li2 Li 0.48370 0.96740 0.47496 1.00000
Y1 Y 0.87419 0.74838 0.79422 1.00000
Y2 Y 0.10828 0.21656 0.68727 1.00000
Y3 Y 0.12581 0.25162 0.29422 1.00000
Y4 Y 0.89172 0.78344 0.18727 1.00000
U1 U 0.79986 0.59972 0.50437 1.00000
U2 U 0.20014 0.40028 0.00437 1.00000
S1 S 0.36648 0.73295 0.00220 1.00000
S2 S 0.69005 0.38009 0.84253 1.00000
S3 S 0.49847 0.99695 0.78101 1.00000
S4 S 0.28739 0.57478 0.66576 1.00000
S5 S 0.95230 0.90460 0.57165 1.00000
S6 S 0.63352 0.26705 0.50220 1.00000
S7 S 0.30995 0.61991 0.34253 1.00000
S8 S 0.50153 0.00305 0.28101 1.00000
S9 S 0.71261 0.42522 0.16576 1.00000
S10 S 0.04770 0.09540 0.07165 1.00000
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