NdMg(AlH4)2
Alexandria ALEXAlex-ID: agm007246727 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_405_spg2
NdAlH6 MgH2 Al
2024-02-09 04:04:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007246727).
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 agm007246727
data_agm007246727
_cell_length_a 3.61789
_cell_length_b 5.67506
_cell_length_c 6.81506
_cell_angle_alpha 99.31743
_cell_angle_beta 107.61564
_cell_angle_gamma 105.88293
_cell_volume 123.61711
_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
Nd1 Nd 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.87812 0.45092 0.79505 1.00000
Al2 Al 0.12188 0.54908 0.20495 1.00000
H1 H 0.31274 0.91653 0.23819 1.00000
H2 H 0.67551 0.59795 0.25078 1.00000
H3 H 0.97191 0.23237 0.23344 1.00000
H4 H 0.68726 0.08347 0.76181 1.00000
H5 H 0.32449 0.40205 0.74922 1.00000
H6 H 0.02809 0.76763 0.76656 1.00000
H7 H 0.64599 0.29723 0.52274 1.00000
H8 H 0.35401 0.70277 0.47726 1.00000
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