ThSiGe
Alexandria ALEXAlex-ID: agm005658026 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2306_spg44
ThSi2 ThGe2
2023-06-18 10:56:45.293027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658026).
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 agm005658026
data_agm005658026
_cell_length_a 4.05460
_cell_length_b 6.04045
_cell_length_c 6.04046
_cell_angle_alpha 81.05274
_cell_angle_beta 70.38974
_cell_angle_gamma 70.38973
_cell_volume 131.12301
_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
Th1 Th 0.25224 0.24776 0.24776 1.00000
Th2 Th 0.74776 0.75224 0.75224 1.00000
Si1 Si 0.00000 0.84673 0.15327 1.00000
Si2 Si 1.00000 0.15327 0.84673 1.00000
Ge1 Ge 0.50000 0.67056 0.32944 1.00000
Ge2 Ge 0.50000 0.32944 0.67056 1.00000
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