NaMg3H10
Alexandria ALEXAlex-ID: agm095965315 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C10_164_spg1
MgH6 NaMgH3 MgH2
2025-05-28 15:01:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095965315).
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 agm095965315
data_agm095965315
_cell_length_a 6.84045
_cell_length_b 5.33928
_cell_length_c 7.73755
_cell_angle_alpha 112.10181
_cell_angle_beta 134.50708
_cell_angle_gamma 91.67906
_cell_volume 167.36004
_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 0.73028 0.72283 0.63897 1.00000
Mg1 Mg 0.82197 0.06299 0.35031 1.00000
Mg2 Mg 0.56252 0.30233 0.85099 1.00000
Mg3 Mg 0.17213 0.64637 0.60421 1.00000
H1 H 0.73220 0.32102 0.17841 1.00000
H2 H 0.15657 0.32302 0.08701 1.00000
H3 H 0.27019 0.87209 0.20178 1.00000
H4 H 0.96648 0.44978 0.64011 1.00000
H5 H 0.43195 0.87317 0.63904 1.00000
H6 H 0.11952 0.75639 0.12194 1.00000
H7 H 0.28049 0.28761 0.11317 1.00000
H8 H 0.56961 0.71397 0.98893 1.00000
H9 H 0.98211 0.91077 0.58463 1.00000
H10 H 0.20397 0.25767 0.50049 1.00000
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