Ti3(GaGe)4
Alexandria ALEXAlex-ID: agm009943032 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
TiGa3 Ge TiGe2
2024-04-20 10:44:34.677047
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009943032).
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 agm009943032
data_agm009943032
_cell_length_a 2.84014
_cell_length_b 3.87531
_cell_length_c 17.83235
_cell_angle_alpha 96.42534
_cell_angle_beta 90.42709
_cell_angle_gamma 90.00164
_cell_volume 195.03190
_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 0.99234 0.37431 0.74350 1.00000
Ti2 Ti 0.00766 0.62569 0.25650 1.00000
Ti3 Ti 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.49624 0.91188 0.82049 1.00000
Ga2 Ga 0.53524 0.71973 0.43976 1.00000
Ga3 Ga 0.46476 0.28027 0.56024 1.00000
Ga4 Ga 0.50376 0.08812 0.17951 1.00000
Ge1 Ge 0.49599 0.46064 0.92004 1.00000
Ge2 Ge 0.50401 0.53936 0.07996 1.00000
Ge3 Ge 0.51244 0.16607 0.33468 1.00000
Ge4 Ge 0.48756 0.83393 0.66532 1.00000
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