ThGe2MoRu
Alexandria ALEXAlex-ID: agm005015918 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_49_spg119
GeMo3 Th(GeRu)2 Th2Ge5Ru3 ThGe
2022-07-04 06:54:13.577201
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005015918).
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 agm005015918
data_agm005015918
_cell_length_a 4.33653
_cell_length_b 4.33653
_cell_length_c 5.94811
_cell_angle_alpha 111.37867
_cell_angle_beta 111.37867
_cell_angle_gamma 90.00000
_cell_volume 95.84789
_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
Ge1 Ge 0.62683 0.62683 0.25366 1.00000
Ge2 Ge 0.37317 0.37317 0.74634 1.00000
Mo1 Mo 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.25000 0.75000 0.50000 1.00000
