U4GaS8
Alexandria ALEXAlex-ID: agm097991709 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_344_spg12
US2 GaS U2S3
2025-06-22 15:46:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097991709).
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 agm097991709
data_agm097991709
_cell_length_a 6.48281
_cell_length_b 8.02373
_cell_length_c 8.02537
_cell_angle_alpha 60.00125
_cell_angle_beta 90.03341
_cell_angle_gamma 89.97650
_cell_volume 361.52694
_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
U1 U 0.95251 0.00002 0.99993 1.00000
U2 U 0.01457 0.99760 0.50120 1.00000
U3 U 0.01428 0.50134 0.99729 1.00000
U4 U 0.01437 0.50127 0.50122 1.00000
Ga1 Ga 0.46814 0.99939 0.00092 1.00000
S1 S 0.21697 0.15622 0.68754 1.00000
S2 S 0.21707 0.15629 0.15643 1.00000
S3 S 0.22987 0.66652 0.66678 1.00000
S4 S 0.21710 0.68703 0.15651 1.00000
S5 S 0.78328 0.35482 0.82236 1.00000
S6 S 0.80503 0.33358 0.33298 1.00000
S7 S 0.78335 0.82302 0.82223 1.00000
S8 S 0.78345 0.82291 0.35460 1.00000
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