MnH4Au
Alexandria ALEXAlex-ID: agm007196330 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1762_spg15
H6Au MnH2 MnAu4
2024-01-27 15:43:13.074413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007196330).
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 agm007196330
data_agm007196330
_cell_length_a 5.63347
_cell_length_b 5.22053
_cell_length_c 4.85021
_cell_angle_alpha 111.76765
_cell_angle_beta 60.27611
_cell_angle_gamma 121.63057
_cell_volume 104.28184
_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 0.91431 0.83392 0.00386 1.00000
Mn2 Mn 0.42040 0.95259 0.43973 1.00000
H1 H 0.14635 0.67018 0.76295 1.00000
H2 H 0.81775 0.09101 0.30001 1.00000
H3 H 0.07675 0.59772 0.33587 1.00000
H4 H 0.21541 0.55259 0.22181 1.00000
H5 H 0.90412 0.48645 0.88622 1.00000
H6 H 0.65839 0.88157 0.97111 1.00000
H7 H 0.12515 0.98930 0.23270 1.00000
H8 H 0.12355 0.07022 0.73976 1.00000
Au1 Au 0.61694 0.61155 0.57664 1.00000
Au2 Au 0.48088 0.26292 0.02934 1.00000
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