Mg2ZnH6Au
Alexandria ALEXAlex-ID: agm007407588 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_227_spg1
MgH2 Zn3Au MgH6 MgAu
2025-05-27 03:14:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007407588).
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 agm007407588
data_agm007407588
_cell_length_a 4.87893
_cell_length_b 4.68849
_cell_length_c 6.79540
_cell_angle_alpha 115.76059
_cell_angle_beta 65.77324
_cell_angle_gamma 121.58931
_cell_volume 115.82080
_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 0.27287 0.56483 0.87173 1.00000
Mg2 Mg 0.10460 0.79714 0.42135 1.00000
Zn1 Zn 0.84338 0.03283 0.18651 1.00000
H1 H 0.96196 0.13897 0.69481 1.00000
H2 H 0.74628 0.55069 0.69391 1.00000
H3 H 0.15653 0.95171 0.13035 1.00000
H4 H 0.36537 0.69359 0.58621 1.00000
H5 H 0.94673 0.40425 0.15181 1.00000
H6 H 0.49046 0.74349 0.12598 1.00000
Au1 Au 0.61577 0.12044 0.63630 1.00000
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