TiV5Ge6
Alexandria ALEXAlex-ID: agm003674952 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_69_spg12
Ti2V4Ge5 V11Ge8 Ge
2022-04-10 05:59:59.410970
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674952).
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 agm003674952
data_agm003674952
_cell_length_a 6.78674
_cell_length_b 4.81788
_cell_length_c 7.14328
_cell_angle_alpha 70.29169
_cell_angle_beta 78.72924
_cell_angle_gamma 54.58049
_cell_volume 179.19238
_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 0.00000 0.00000 1.00000
V1 V 0.50000 0.16314 0.67373 1.00000
V2 V 1.00000 0.33407 0.33186 1.00000
V3 V 0.50000 0.50000 0.00000 1.00000
V4 V 0.00000 0.66593 0.66814 1.00000
V5 V 0.50000 0.83686 0.32627 1.00000
Ge1 Ge 0.74349 0.09313 0.33990 1.00000
Ge2 Ge 0.25651 0.56697 0.33990 1.00000
Ge3 Ge 0.25065 0.25610 1.00000 1.00000
Ge4 Ge 0.74935 0.74390 0.00000 1.00000
Ge5 Ge 0.74349 0.43303 0.66010 1.00000
Ge6 Ge 0.25651 0.90687 0.66010 1.00000
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