MgMnH6Au
Alexandria ALEXAlex-ID: agm007664252 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_125_spg5
MgH6 MnH2 MgAu3
2024-02-09 07:50:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007664252).
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 agm007664252
data_agm007664252
_cell_length_a 5.13748
_cell_length_b 5.13748
_cell_length_c 4.64322
_cell_angle_alpha 85.72711
_cell_angle_beta 85.72711
_cell_angle_gamma 138.42050
_cell_volume 79.52041
_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 0.16325 0.83675 0.50000 1.00000
Mn1 Mn 0.65523 0.34477 0.00000 1.00000
H1 H 0.87392 0.30892 0.76972 1.00000
H2 H 0.69108 0.12608 0.23028 1.00000
H3 H 0.24009 0.17420 0.11962 1.00000
H4 H 0.67422 0.48781 0.29097 1.00000
H5 H 0.82580 0.75991 0.88038 1.00000
H6 H 0.51219 0.32578 0.70903 1.00000
Au1 Au 0.36452 0.63548 0.00000 1.00000
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