Na4BeGa8
Alexandria ALEXAlex-ID: agm098024200 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_791_spg191
Na7Ga13 Be NaGa4
2025-06-02 10:55:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098024200).
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 agm098024200
data_agm098024200
_cell_length_a 8.48282
_cell_length_b 8.48282
_cell_length_c 5.05191
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 314.82333
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.00000 0.50000 0.00000 1.00000
Na3 Na 0.50000 0.00000 0.00000 1.00000
Na4 Na 0.50000 0.50000 0.00000 1.00000
Be1 Be 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.16735 0.33469 0.50000 1.00000
Ga2 Ga 0.16735 0.83265 0.50000 1.00000
Ga3 Ga 0.66667 0.33333 0.50000 1.00000
Ga4 Ga 0.66531 0.83265 0.50000 1.00000
Ga5 Ga 0.33469 0.16735 0.50000 1.00000
Ga6 Ga 0.33333 0.66667 0.50000 1.00000
Ga7 Ga 0.83265 0.16735 0.50000 1.00000
Ga8 Ga 0.83265 0.66531 0.50000 1.00000
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