La4Y3S8
Alexandria ALEXAlex-ID: agm005705302 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
La4(YS2)11 Y5S6 LaS
2023-06-29 19:11:56.671969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705302).
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 agm005705302
data_agm005705302
_cell_length_a 7.89020
_cell_length_b 7.89020
_cell_length_c 8.76175
_cell_angle_alpha 63.23923
_cell_angle_beta 63.23923
_cell_angle_gamma 59.99996
_cell_volume 403.51896
_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
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.35019 0.35019 0.94943 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
La4 La 0.64981 0.64981 0.05057 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
S1 S 0.22858 0.22858 0.31425 1.00000
S2 S 0.23573 0.74940 0.26548 1.00000
S3 S 0.74940 0.74940 0.26548 1.00000
S4 S 0.74940 0.23573 0.26548 1.00000
S5 S 0.77142 0.77142 0.68575 1.00000
S6 S 0.76427 0.25060 0.73452 1.00000
S7 S 0.25060 0.25060 0.73452 1.00000
S8 S 0.25060 0.76427 0.73452 1.00000
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