NaAlBiH6
Alexandria ALEXAlex-ID: agm006934722 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_644_spg1
NaAlH12 NaAlH4 Bi
2024-01-28 03:01:52.518903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006934722).
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 agm006934722
data_agm006934722
_cell_length_a 4.39320
_cell_length_b 5.11707
_cell_length_c 5.13257
_cell_angle_alpha 121.18795
_cell_angle_beta 84.94212
_cell_angle_gamma 94.05143
_cell_volume 98.27923
_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 0.33235 0.32743 0.68301 1.00000
Al1 Al 0.53928 0.66233 0.33677 1.00000
Bi1 Bi 0.90810 0.98439 0.04136 1.00000
H1 H 0.28875 0.33899 0.15218 1.00000
H2 H 0.79718 0.52906 0.99411 1.00000
H3 H 0.77978 0.00005 0.48101 1.00000
H4 H 0.74478 0.49530 0.47392 1.00000
H5 H 0.27607 0.82319 0.66129 1.00000
H6 H 0.33362 0.83908 0.17637 1.00000
Get direct link