MnH8Au3
Alexandria ALEXAlex-ID: agm007199443 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_216_spg71
H6Au MnH2 MnAu4
2024-01-28 16:12:39.972899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007199443).
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 agm007199443
data_agm007199443
_cell_length_a 5.35842
_cell_length_b 4.99441
_cell_length_c 5.47031
_cell_angle_alpha 112.30065
_cell_angle_beta 102.14049
_cell_angle_gamma 99.25585
_cell_volume 127.64560
_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
Mn1 Mn 0.00000 0.50000 0.50000 1.00000
H1 H 0.29266 0.11811 0.94052 1.00000
H2 H 0.29142 0.72113 0.47073 1.00000
H3 H 0.70734 0.88189 0.05948 1.00000
H4 H 0.03536 0.38043 0.16936 1.00000
H5 H 0.96464 0.61957 0.83064 1.00000
H6 H 0.31012 0.46734 0.67007 1.00000
H7 H 0.68988 0.53266 0.32993 1.00000
H8 H 0.70858 0.27887 0.52927 1.00000
Au1 Au 0.28647 0.09362 0.58830 1.00000
Au2 Au 0.71353 0.90638 0.41170 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
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