Na2MgAlH8
Alexandria ALEXAlex-ID: agm095908042 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_811_spg2
Na5Al3H14 NaMgH3 MgH6 NaAlH4
2025-05-28 04:04:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095908042).
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
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# CIF generated by HEAS from Alexandria entry agm095908042
data_agm095908042
_cell_length_a 5.45594
_cell_length_b 6.36581
_cell_length_c 5.82901
_cell_angle_alpha 83.66896
_cell_angle_beta 76.91286
_cell_angle_gamma 120.55539
_cell_volume 163.56400
_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 0.32958 0.67147 0.20563 1.00000
Na2 Na 0.74624 0.33079 0.76151 1.00000
Mg1 Mg 0.01190 0.00199 0.53388 1.00000
Al1 Al 0.03817 0.09226 0.02240 1.00000
H1 H 0.80112 0.58119 0.26576 1.00000
H2 H 0.08336 0.32120 0.48034 1.00000
H3 H 0.27960 0.08406 0.17554 1.00000
H4 H 0.75228 0.95652 0.88561 1.00000
H5 H 0.76202 0.93034 0.30446 1.00000
H6 H 0.25534 0.07892 0.76401 1.00000
H7 H 0.12373 0.38420 0.96603 1.00000
H8 H 0.81666 0.56705 0.13483 1.00000
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