Mg(MnH4)2
Alexandria ALEXAlex-ID: agm006458121 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1784_spg12
MgH6 MnH2 Mg3MnH7
2023-12-26 18:27:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458121).
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 agm006458121
data_agm006458121
_cell_length_a 2.82779
_cell_length_b 4.98939
_cell_length_c 5.14358
_cell_angle_alpha 119.01343
_cell_angle_beta 105.95517
_cell_angle_gamma 90.00000
_cell_volume 60.24654
_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
H1 H 0.66057 0.86809 0.32115 1.00000
H2 H 0.33941 0.54694 0.67882 1.00000
H3 H 0.18639 0.18638 0.37279 1.00000
H4 H 1.00000 0.33680 1.00000 1.00000
H5 H 0.81361 0.81362 0.62721 1.00000
H6 H 0.66059 0.45306 0.32118 1.00000
H7 H 0.33943 0.13191 0.67885 1.00000
H8 H 0.00000 0.66320 0.00000 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mn1 Mn 0.18901 0.68901 0.37801 1.00000
Mn2 Mn 0.81099 0.31099 0.62199 1.00000
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