MgH8Au2Se
Alexandria ALEXAlex-ID: agm007198077 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1873_spg2
H6Au MgSe Au
2024-01-28 15:35:33.293444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007198077).
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 agm007198077
data_agm007198077
_cell_length_a 5.50743
_cell_length_b 5.92306
_cell_length_c 5.61012
_cell_angle_alpha 101.50984
_cell_angle_beta 99.74746
_cell_angle_gamma 123.30046
_cell_volume 140.92620
_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 0.00000 0.00000 0.00000 1.00000
H1 H 0.30820 0.02758 0.36732 1.00000
H2 H 0.99495 0.24541 0.30371 1.00000
H3 H 0.69180 0.97242 0.63268 1.00000
H4 H 0.92543 0.47810 0.95528 1.00000
H5 H 0.07457 0.52190 0.04472 1.00000
H6 H 0.63244 0.34454 0.18302 1.00000
H7 H 0.36756 0.65546 0.81698 1.00000
H8 H 0.00505 0.75459 0.69629 1.00000
Au1 Au 0.64932 0.12404 0.32878 1.00000
Au2 Au 0.35068 0.87596 0.67122 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
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