SiGeCl
Alexandria ALEXAlex-ID: agm002020883 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3492_spg160
Si Ge SiCl4
2021-11-15 09:08:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002020883).
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 agm002020883
data_agm002020883
_cell_length_a 11.77049
_cell_length_b 3.98972
_cell_length_c 6.90454
_cell_angle_alpha 90.00000
_cell_angle_beta 101.70320
_cell_angle_gamma 90.00000
_cell_volume 317.50307
_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
Si1 Si 0.49590 0.00000 0.94250 1.00000
Si2 Si 0.49590 0.50000 0.44250 1.00000
Si3 Si 0.21629 0.00000 0.17905 1.00000
Si4 Si 0.21629 0.50000 0.67905 1.00000
Ge1 Ge 0.15009 0.00000 0.82277 1.00000
Ge2 Ge 0.15009 0.50000 0.32277 1.00000
Ge3 Ge 0.42810 0.00000 0.25251 1.00000
Ge4 Ge 0.42810 0.50000 0.75251 1.00000
Cl1 Cl 0.67524 0.00000 0.00431 1.00000
Cl2 Cl 0.67524 0.50000 0.50431 1.00000
Cl3 Cl 0.96093 0.00000 0.75689 1.00000
Cl4 Cl 0.96093 0.50000 0.25689 1.00000
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