TaTi5Ge6
Alexandria ALEXAlex-ID: agm003674946 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
Ta2TiGe6 Ti5Ge4 Ta5Ge3
2022-04-10 04:23:54.642583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674946).
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 agm003674946
data_agm003674946
_cell_length_a 6.39813
_cell_length_b 6.33188
_cell_length_c 6.36572
_cell_angle_alpha 60.17565
_cell_angle_beta 80.42831
_cell_angle_gamma 70.46759
_cell_volume 210.85775
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.50000 0.16547 0.66907 1.00000
Ti2 Ti 0.00000 0.33302 0.33397 1.00000
Ti3 Ti 0.50000 0.50000 0.00000 1.00000
Ti4 Ti 1.00000 0.66698 0.66603 1.00000
Ti5 Ti 0.50000 0.83453 0.33093 1.00000
Ge1 Ge 0.74761 0.08434 0.33666 1.00000
Ge2 Ge 0.25239 0.57901 0.33666 1.00000
Ge3 Ge 0.25106 0.25329 0.00000 1.00000
Ge4 Ge 0.74894 0.74671 1.00000 1.00000
Ge5 Ge 0.74761 0.42099 0.66334 1.00000
Ge6 Ge 0.25239 0.91566 0.66334 1.00000
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