Mg5(AgH)2
Alexandria ALEXAlex-ID: agm007267973 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_119_spg12
Mg2Ag MgH2
2024-03-26 01:30:54.039373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007267973).
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 agm007267973
data_agm007267973
_cell_length_a 5.87310
_cell_length_b 5.87310
_cell_length_c 8.21189
_cell_angle_alpha 85.08662
_cell_angle_beta 85.08662
_cell_angle_gamma 31.39968
_cell_volume 146.99205
_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 0.86551 0.86551 0.46533 1.00000
Mg2 Mg 0.13449 0.13449 0.53467 1.00000
Mg3 Mg 0.25215 0.25215 0.17042 1.00000
Mg4 Mg 0.74785 0.74785 0.82958 1.00000
Mg5 Mg 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.53734 0.53734 0.28425 1.00000
Ag2 Ag 0.46266 0.46266 0.71575 1.00000
H1 H 0.18384 0.18384 0.94631 1.00000
H2 H 0.81616 0.81616 0.05369 1.00000
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