Th3Al2Ge7
Alexandria ALEXAlex-ID: agm002328126 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_13_spg10
ThGe2 Ge Al
2019-02-25 21:38:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002328126).
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 agm002328126
data_agm002328126
_cell_length_a 4.28055
_cell_length_b 4.54700
_cell_length_c 13.42225
_cell_angle_alpha 83.30977
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 259.46669
_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
Ge1 Ge 0.50000 0.73291 0.54559 1.00000
Ge2 Ge 0.50000 0.26710 0.45443 1.00000
Ge3 Ge 0.00000 0.58396 0.82852 1.00000
Ge4 Ge 0.00000 0.00000 0.99998 1.00000
Ge5 Ge 0.00000 0.41601 0.17147 1.00000
Ge6 Ge 0.50000 0.91645 0.17397 1.00000
Ge7 Ge 0.50000 0.08356 0.82601 1.00000
Al1 Al 0.50000 0.62391 0.73004 1.00000
Al2 Al 0.50000 0.37608 0.26998 1.00000
Th1 Th 0.50000 0.50000 0.99998 1.00000
Th2 Th 0.00000 0.17942 0.63236 1.00000
Th3 Th 0.00000 0.82059 0.36766 1.00000
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