MgMn(CuH3)2
Alexandria ALEXAlex-ID: agm007682597 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_789_spg1
MnH2 Mg3MnH7 Cu CuH4
2025-05-27 19:10:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007682597).
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 agm007682597
data_agm007682597
_cell_length_a 4.51452
_cell_length_b 4.89358
_cell_length_c 4.88722
_cell_angle_alpha 68.60739
_cell_angle_beta 61.09740
_cell_angle_gamma 61.02753
_cell_volume 81.47992
_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 0.99258 0.69711 0.79522 1.00000
Mn1 Mn 0.19765 0.95330 0.05368 1.00000
Cu1 Cu 0.56593 0.89151 0.42839 1.00000
Cu2 Cu 0.56570 0.32897 0.99172 1.00000
H1 H 0.05698 0.11673 0.75326 1.00000
H2 H 0.36489 0.24195 0.84106 1.00000
H3 H 0.77798 0.17569 0.27686 1.00000
H4 H 0.05745 0.65327 0.21643 1.00000
H5 H 0.36740 0.73893 0.34110 1.00000
H6 H 0.55346 0.70255 0.80230 1.00000
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