Ta3(GaGe)4
Alexandria ALEXAlex-ID: agm009769263 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Ta5Ga13 Ge TaGe2
2024-04-17 16:13:04.102126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009769263).
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 agm009769263
data_agm009769263
_cell_length_a 3.42393
_cell_length_b 3.46663
_cell_length_c 16.63595
_cell_angle_alpha 95.98253
_cell_angle_beta 107.91188
_cell_angle_gamma 89.98007
_cell_volume 186.76158
_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 0.91881 0.64072 0.28040 1.00000
Ta2 Ta 0.08119 0.35928 0.71960 1.00000
Ta3 Ta 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.26809 0.09042 0.17945 1.00000
Ga2 Ga 0.81478 0.27159 0.54298 1.00000
Ga3 Ga 0.18522 0.72841 0.45702 1.00000
Ga4 Ga 0.73191 0.90958 0.82055 1.00000
Ge1 Ge 0.63457 0.54561 0.09014 1.00000
Ge2 Ge 0.36543 0.45439 0.90986 1.00000
Ge3 Ge 0.47761 0.82486 0.65016 1.00000
Ge4 Ge 0.52239 0.17514 0.34984 1.00000
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