BaLaGa4
Alexandria ALEXAlex-ID: agm005778074 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_235_spg71
LaGa2 BaGa2
2023-07-28 08:13:56.331784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778074).
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 agm005778074
data_agm005778074
_cell_length_a 4.33331
_cell_length_b 6.49898
_cell_length_c 6.49895
_cell_angle_alpha 93.99353
_cell_angle_beta 70.52565
_cell_angle_gamma 70.52573
_cell_volume 159.28138
_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 0.00000 0.00000 0.50000 1.00000
La1 La 0.00000 0.50000 0.00000 1.00000
Ga1 Ga 0.66709 0.56459 0.60122 1.00000
Ga2 Ga 0.33291 0.43541 0.39878 1.00000
Ga3 Ga 0.33291 0.89873 0.93545 1.00000
Ga4 Ga 0.66709 0.10127 0.06455 1.00000
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