Li2U4S9
Alexandria ALEXAlex-ID: agm005642872 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Li2US3 US2
2023-06-15 13:49:44.113121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642872).
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 agm005642872
data_agm005642872
_cell_length_a 6.78044
_cell_length_b 6.78281
_cell_length_c 18.28468
_cell_angle_alpha 89.99922
_cell_angle_beta 89.99951
_cell_angle_gamma 60.01366
_cell_volume 728.35808
_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 0.99932 0.00044 0.33989 1.00000
Li2 Li 0.99960 0.99970 0.15993 1.00000
Li3 Li 0.00068 0.99956 0.66011 1.00000
Li4 Li 0.00040 0.00030 0.84007 1.00000
U1 U 0.33336 0.33327 0.98115 1.00000
U2 U 0.33336 0.33327 0.48122 1.00000
U3 U 0.66664 0.66673 0.01885 1.00000
U4 U 0.33294 0.33330 0.18201 1.00000
U5 U 0.66664 0.66673 0.51878 1.00000
U6 U 0.66621 0.66677 0.31796 1.00000
U7 U 0.33379 0.33323 0.68204 1.00000
U8 U 0.66706 0.66670 0.81799 1.00000
S1 S 0.00052 0.31337 0.75011 1.00000
S2 S 0.31385 0.68648 0.74998 1.00000
S3 S 0.68699 0.00006 0.75005 1.00000
S4 S 0.99948 0.68663 0.24989 1.00000
S5 S 0.68615 0.31352 0.25002 1.00000
S6 S 0.31301 0.99994 0.24995 1.00000
S7 S 0.67536 0.95924 0.41940 1.00000
S8 S 0.95909 0.36551 0.41939 1.00000
S9 S 0.36499 0.67563 0.41949 1.00000
S10 S 0.63463 0.04085 0.08055 1.00000
S11 S 0.32444 0.63460 0.08054 1.00000
S12 S 0.04066 0.32425 0.08046 1.00000
S13 S 0.32464 0.04076 0.58060 1.00000
S14 S 0.04091 0.63449 0.58061 1.00000
S15 S 0.63501 0.32437 0.58051 1.00000
S16 S 0.36537 0.95915 0.91945 1.00000
S17 S 0.67556 0.36540 0.91946 1.00000
S18 S 0.95934 0.67575 0.91954 1.00000
