Ti(VGe)6
Alexandria ALEXAlex-ID: agm024325209 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_49_spg71
Ti2V4Ge5 V11Ge8 Ge
2025-04-01 22:39:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024325209).
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 agm024325209
data_agm024325209
_cell_length_a 6.68280
_cell_length_b 6.68280
_cell_length_c 6.68280
_cell_angle_alpha 134.58039
_cell_angle_beta 101.01096
_cell_angle_gamma 96.14782
_cell_volume 195.85818
_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 0.50000 0.50000 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
V3 V 0.00000 0.00000 0.50000 1.00000
V4 V 0.00000 0.50000 0.00000 1.00000
V5 V 0.74592 0.00000 0.74592 1.00000
V6 V 0.25408 0.00000 0.25408 1.00000
Ge1 Ge 0.67129 0.17129 0.50000 1.00000
Ge2 Ge 0.32871 0.82871 0.50000 1.00000
Ge3 Ge 0.30899 0.50000 0.80899 1.00000
Ge4 Ge 0.69101 0.50000 0.19101 1.00000
Ge5 Ge 0.16092 0.16092 0.00000 1.00000
Ge6 Ge 0.83908 0.83908 0.00000 1.00000
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