HfTi5Ge6
Alexandria ALEXAlex-ID: agm003674953 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
Hf2Ti3Ge4 TiGe2 Ti5Ge4
2022-04-10 04:20:03.551990
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674953).
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 agm003674953
data_agm003674953
_cell_length_a 6.40746
_cell_length_b 6.42325
_cell_length_c 6.40537
_cell_angle_alpha 59.90764
_cell_angle_beta 80.39153
_cell_angle_gamma 70.55511
_cell_volume 215.08236
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.50000 0.16287 0.67426 1.00000
Ti2 Ti 0.00000 0.33218 0.33564 1.00000
Ti3 Ti 0.50000 0.50000 0.00000 1.00000
Ti4 Ti 0.00000 0.66782 0.66436 1.00000
Ti5 Ti 0.50000 0.83713 0.32574 1.00000
Ge1 Ge 0.74343 0.08588 0.34135 1.00000
Ge2 Ge 0.25657 0.57277 0.34135 1.00000
Ge3 Ge 0.25224 0.25804 0.00000 1.00000
Ge4 Ge 0.74776 0.74196 1.00000 1.00000
Ge5 Ge 0.74343 0.42723 0.65865 1.00000
Ge6 Ge 0.25657 0.91412 0.65865 1.00000
Get direct link