Mg8Ge5H
Alexandria ALEXAlex-ID: agm006558683 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_123_spg5
Mg2Ge Ge MgH2
2024-03-01 19:41:08.921253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006558683).
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 agm006558683
data_agm006558683
_cell_length_a 6.28901
_cell_length_b 7.18903
_cell_length_c 7.64614
_cell_angle_alpha 110.77172
_cell_angle_beta 109.26725
_cell_angle_gamma 105.09098
_cell_volume 275.82689
_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 0.99244 0.47446 0.56239 1.00000
Mg2 Mg 0.34808 0.12006 0.39868 1.00000
Mg3 Mg 0.89570 0.64793 0.22839 1.00000
Mg4 Mg 0.34929 0.36934 0.86840 1.00000
Mg5 Mg 0.50007 0.67758 0.41213 1.00000
Mg6 Mg 0.78262 0.22545 0.82307 1.00000
Mg7 Mg 0.08362 0.96021 0.90147 1.00000
Mg8 Mg 0.62847 0.93278 0.04321 1.00000
Ge1 Ge 0.68012 0.56788 0.76181 1.00000
Ge2 Ge 0.16559 0.66088 0.02338 1.00000
Ge3 Ge 0.92871 0.03922 0.49671 1.00000
Ge4 Ge 0.29281 0.89490 0.63471 1.00000
Ge5 Ge 0.55270 0.30738 0.20280 1.00000
H1 H 0.90124 0.10608 0.00248 1.00000
Get direct link