Mg2H5Au
Alexandria ALEXAlex-ID: agm006409751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2621_spg2
MgH6 MgH2 MgAu
2024-08-07 21:45:08.263312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006409751).
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 agm006409751
data_agm006409751
_cell_length_a 3.61767
_cell_length_b 6.14878
_cell_length_c 9.43046
_cell_angle_alpha 101.90357
_cell_angle_beta 65.53183
_cell_angle_gamma 77.29768
_cell_volume 175.50688
_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
Mg1 Mg 0.28817 0.25057 0.34632 1.00000
Mg2 Mg 0.12272 0.22925 0.03477 1.00000
Mg3 Mg 0.71183 0.74943 0.65368 1.00000
Mg4 Mg 0.87728 0.77075 0.96523 1.00000
H1 H 0.37206 0.86711 0.93314 1.00000
H2 H 0.57538 0.03913 0.59492 1.00000
H3 H 0.13750 0.60626 0.41477 1.00000
H4 H 0.57005 0.53044 0.09178 1.00000
H5 H 0.87248 0.25559 0.27023 1.00000
H6 H 0.12752 0.74441 0.72977 1.00000
H7 H 0.86250 0.39374 0.58523 1.00000
H8 H 0.42995 0.46956 0.90822 1.00000
H9 H 0.62794 0.13289 0.06686 1.00000
H10 H 0.42462 0.96087 0.40508 1.00000
Au1 Au 0.54028 0.26597 0.73591 1.00000
Au2 Au 0.45972 0.73403 0.26409 1.00000
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