ThReTcGe2
Alexandria ALEXAlex-ID: agm005017262 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_49_spg119
Th2Tc3Ge5 Th(Re2Ge)2 ThTcGe
2022-07-04 07:07:58.780567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005017262).
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 agm005017262
data_agm005017262
_cell_length_a 4.28049
_cell_length_b 4.28049
_cell_length_c 6.00081
_cell_angle_alpha 110.89518
_cell_angle_beta 110.89518
_cell_angle_gamma 90.00000
_cell_volume 94.93931
_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 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.25000 0.75000 0.50000 1.00000
Tc1 Tc 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.62518 0.62518 0.25036 1.00000
Ge2 Ge 0.37482 0.37482 0.74964 1.00000
