Th3Ge2Sb
Alexandria ALEXAlex-ID: agm028811392 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_367_spg8
Th3Ge2Sb
2024-12-10 20:04:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm028811392).
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 agm028811392
data_agm028811392
_cell_length_a 9.78588
_cell_length_b 9.78588
_cell_length_c 8.78960
_cell_angle_alpha 76.79354
_cell_angle_beta 103.20646
_cell_angle_gamma 154.24710
_cell_volume 355.53622
_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 0.33457 0.66543 0.92965 1.00000
Th2 Th 0.66173 0.33827 0.59606 1.00000
Th3 Th 0.66543 0.33457 0.07035 1.00000
Th4 Th 0.99542 0.00458 0.24639 1.00000
Th5 Th 0.00458 0.99542 0.75361 1.00000
Th6 Th 0.33827 0.66173 0.40394 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Ge2 Ge 0.50000 0.50000 0.50000 1.00000
Ge3 Ge 0.83125 0.16875 0.16507 1.00000
Ge4 Ge 0.16875 0.83125 0.83493 1.00000
Sb1 Sb 0.83321 0.16679 0.66499 1.00000
Sb2 Sb 0.16679 0.83321 0.33501 1.00000
Get direct link