Th6SiGe5
Alexandria ALEXAlex-ID: agm006136995 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Th2SiGe ThGe
2023-09-07 21:48:10.920745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136995).
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 agm006136995
data_agm006136995
_cell_length_a 7.43972
_cell_length_b 7.44126
_cell_length_c 7.43779
_cell_angle_alpha 59.98455
_cell_angle_beta 80.40769
_cell_angle_gamma 70.54191
_cell_volume 336.17737
_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 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.16719 0.66561 1.00000
Ge2 Ge 0.00000 0.33339 0.33322 1.00000
Ge3 Ge 0.50000 0.50000 0.00000 1.00000
Ge4 Ge 1.00000 0.66661 0.66678 1.00000
Ge5 Ge 0.50000 0.83281 0.33439 1.00000
Th1 Th 0.75108 0.08294 0.33156 1.00000
Th2 Th 0.24892 0.58551 0.33156 1.00000
Th3 Th 0.24920 0.24843 1.00000 1.00000
Th4 Th 0.75080 0.75157 0.00000 1.00000
Th5 Th 0.75108 0.41449 0.66844 1.00000
Th6 Th 0.24892 0.91706 0.66844 1.00000
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