La6Si2GeCl3
Alexandria ALEXAlex-ID: agm034791274 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_255_spg12
La5Si3 La3SiCl3 La2GeCl LaSi
2025-02-28 19:57:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034791274).
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 agm034791274
data_agm034791274
_cell_length_a 9.62486
_cell_length_b 9.62486
_cell_length_c 8.57772
_cell_angle_alpha 78.80503
_cell_angle_beta 101.19497
_cell_angle_gamma 153.71959
_cell_volume 344.76778
_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
La1 La 0.33581 0.66419 0.90476 1.00000
La2 La 0.67063 0.32937 0.57420 1.00000
La3 La 0.66419 0.33581 0.09524 1.00000
La4 La 0.00467 0.99533 0.24374 1.00000
La5 La 0.99533 0.00467 0.75626 1.00000
La6 La 0.32937 0.67063 0.42580 1.00000
Si1 Si 0.83324 0.16676 0.66623 1.00000
Si2 Si 0.16676 0.83324 0.33377 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Cl1 Cl 0.50000 0.50000 0.50000 1.00000
Cl2 Cl 0.83391 0.16609 0.16625 1.00000
Cl3 Cl 0.16609 0.83391 0.83375 1.00000
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