Ba4NaGa
Alexandria ALEXAlex-ID: agm005807283 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
Ba2NaGa Ba4Ga BaNa
2023-07-30 17:41:22.389018
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807283).
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 agm005807283
data_agm005807283
_cell_length_a 7.66588
_cell_length_b 9.48910
_cell_length_c 9.48910
_cell_angle_alpha 110.66886
_cell_angle_beta 100.37861
_cell_angle_gamma 100.37858
_cell_volume 612.58162
_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 0.88409 0.64544 0.81238 1.00000
Ba2 Ba 0.04945 0.93794 0.26996 1.00000
Ba3 Ba 0.61591 0.18762 0.35456 1.00000
Ba4 Ba 0.45055 0.73004 0.06206 1.00000
Ba5 Ba 0.54945 0.26996 0.93794 1.00000
Ba6 Ba 0.38409 0.81238 0.64544 1.00000
Ba7 Ba 0.95055 0.06206 0.73004 1.00000
Ba8 Ba 0.11591 0.35456 0.18762 1.00000
Na1 Na 0.75000 0.62322 0.37678 1.00000
Na2 Na 0.25000 0.37678 0.62322 1.00000
Ga1 Ga 0.25000 0.00021 0.99979 1.00000
Ga2 Ga 0.75000 0.99979 0.00021 1.00000
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