Sr2ThSi4
Alexandria ALEXAlex-ID: agm045342917 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_169_spg71
ThSi2 SrSi
2025-05-28 18:33:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045342917).
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 agm045342917
data_agm045342917
_cell_length_a 9.82475
_cell_length_b 9.82475
_cell_length_c 9.82475
_cell_angle_alpha 156.20928
_cell_angle_beta 153.75571
_cell_angle_gamma 35.71391
_cell_volume 168.96291
_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
Sr1 Sr 0.81802 0.81802 0.00000 1.00000
Sr2 Sr 0.18198 0.18198 0.00000 1.00000
Th1 Th 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.63203 0.63203 0.00000 1.00000
Si2 Si 0.36797 0.36797 0.00000 1.00000
Si3 Si 0.56245 0.06245 0.50000 1.00000
Si4 Si 0.43755 0.93755 0.50000 1.00000
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