Ba3Ga5
Alexandria ALEXAlex-ID: agm005535289 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_371_spg12
Ba8Ga7 BaGa2
2023-05-27 23:35:22.516499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535289).
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 agm005535289
data_agm005535289
_cell_length_a 6.89929
_cell_length_b 8.40014
_cell_length_c 9.00590
_cell_angle_alpha 86.98590
_cell_angle_beta 67.47771
_cell_angle_gamma 82.10990
_cell_volume 477.56492
_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 0.22686 0.99955 0.04710 1.00000
Ba2 Ba 0.77396 0.99955 0.95290 1.00000
Ba3 Ba 0.82926 0.18558 0.50000 1.00000
Ba4 Ba 0.17156 0.81357 0.50000 1.00000
Ba5 Ba 0.83873 0.49955 0.82338 1.00000
Ba6 Ba 0.16212 0.49955 0.17662 1.00000
Ga1 Ga 0.66607 0.58182 0.50000 1.00000
Ga2 Ga 0.33482 0.41739 0.50000 1.00000
Ga3 Ga 0.30763 0.65756 0.79450 1.00000
Ga4 Ga 0.69324 0.34162 0.20549 1.00000
Ga5 Ga 0.42228 0.13245 0.33365 1.00000
Ga6 Ga 0.57852 0.86676 0.66634 1.00000
Ga7 Ga 0.39872 0.34162 0.79451 1.00000
Ga8 Ga 0.60212 0.65756 0.20550 1.00000
Ga9 Ga 0.74486 0.86676 0.33366 1.00000
Ga10 Ga 0.25592 0.13245 0.66635 1.00000
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