Ac8SiTe4S3
Alexandria ALEXAlex-ID: agm004716802 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Ac3SiTe2 AcS Ac6SiTe5
2023-02-05 10:08:51.931791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004716802).
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 agm004716802
data_agm004716802
_cell_length_a 8.98582
_cell_length_b 9.27930
_cell_length_c 8.98625
_cell_angle_alpha 118.96061
_cell_angle_beta 119.99842
_cell_angle_gamma 90.00000
_cell_volume 538.01401
_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
Ac1 Ac 0.23877 0.71671 0.97803 1.00000
Ac2 Ac 0.23866 0.71650 0.47732 1.00000
Ac3 Ac 0.26180 0.28533 0.52360 1.00000
Ac4 Ac 0.73926 0.71671 0.97803 1.00000
Ac5 Ac 0.26074 0.28329 0.02197 1.00000
Ac6 Ac 0.73820 0.71467 0.47640 1.00000
Ac7 Ac 0.76134 0.28350 0.52268 1.00000
Ac8 Ac 0.76123 0.28329 0.02197 1.00000
Si1 Si 0.00000 0.50000 0.00000 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Te3 Te 0.00000 0.00000 0.00000 1.00000
Te4 Te 0.00000 0.00000 0.50000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.50000 0.50000 0.50000 1.00000
S3 S 0.00000 0.50000 0.50000 1.00000
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