Ba3Al3Ge2
Alexandria ALEXAlex-ID: agm009082222 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
BaAlGe BaAl4 Ba3(AlGe)2
2024-06-24 11:54:43.480901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009082222).
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 agm009082222
data_agm009082222
_cell_length_a 6.93169
_cell_length_b 6.93169
_cell_length_c 16.15809
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 142.57537
_cell_volume 471.81292
_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
Ba1 Ba 0.55534 0.44466 0.89879 1.00000
Ba2 Ba 0.44466 0.55534 0.39879 1.00000
Ba3 Ba 0.55534 0.44466 0.60121 1.00000
Ba4 Ba 0.44466 0.55534 0.10121 1.00000
Ba5 Ba 0.85429 0.14571 0.75000 1.00000
Ba6 Ba 0.14571 0.85429 0.25000 1.00000
Al1 Al 0.82881 0.17119 0.96326 1.00000
Al2 Al 0.17119 0.82881 0.46326 1.00000
Al3 Al 0.82881 0.17119 0.53674 1.00000
Al4 Al 0.17119 0.82881 0.03674 1.00000
Al5 Al 0.14090 0.85910 0.75000 1.00000
Al6 Al 0.85910 0.14090 0.25000 1.00000
Ge1 Ge 0.73821 0.26179 0.38847 1.00000
Ge2 Ge 0.26179 0.73821 0.88847 1.00000
Ge3 Ge 0.73821 0.26179 0.11153 1.00000
Ge4 Ge 0.26179 0.73821 0.61153 1.00000
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