Mg2MnZnH8
Alexandria ALEXAlex-ID: agm007248186 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1366_spg5
MgH6 MnZn2H5 Mg3MnH7 ZnH2
2024-02-08 01:43:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007248186).
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 agm007248186
data_agm007248186
_cell_length_a 4.59857
_cell_length_b 4.69267
_cell_length_c 6.87820
_cell_angle_alpha 108.73588
_cell_angle_beta 91.07702
_cell_angle_gamma 119.35600
_cell_volume 119.68762
_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 0.27856 0.56260 0.37400 1.00000
Mg2 Mg 0.68249 0.35652 0.61516 1.00000
Mn1 Mn 0.99651 0.99405 0.52129 1.00000
Zn1 Zn 0.01699 0.02743 0.89754 1.00000
H1 H 0.19762 0.40942 0.07725 1.00000
H2 H 0.71490 0.95917 0.66832 1.00000
H3 H 0.26057 0.98692 0.68075 1.00000
H4 H 0.83389 0.64746 0.92014 1.00000
H5 H 0.25839 0.04285 0.36366 1.00000
H6 H 0.76683 0.02677 0.35845 1.00000
H7 H 0.20199 0.42207 0.63112 1.00000
H8 H 0.79126 0.56474 0.39231 1.00000
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