Ti2GeRu3
Alexandria ALEXAlex-ID: agm005820177 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_570_spg65
Ti2GeRu3
2023-08-25 06:30:19.560856
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005820177).
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 agm005820177
data_agm005820177
_cell_length_a 3.09098
_cell_length_b 4.29256
_cell_length_c 6.83015
_cell_angle_alpha 108.31472
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 86.03351
_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
Ti1 Ti 0.00000 0.33544 0.67088 1.00000
Ti2 Ti 0.00000 0.66456 0.32912 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.83359 0.66717 1.00000
Ru3 Ru 0.50000 0.16641 0.33283 1.00000
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