Mn3AlH
Alexandria ALEXAlex-ID: agm003069167 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2325_spg12
MnAl2H7 Mn4H3 Mn2Al
2016-03-09 22:07:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003069167).
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 agm003069167
data_agm003069167
_cell_length_a 4.57190
_cell_length_b 4.93539
_cell_length_c 4.93522
_cell_angle_alpha 60.48477
_cell_angle_beta 91.97454
_cell_angle_gamma 91.97774
_cell_volume 96.82998
_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 0.05751 0.70296 0.80666 1.00000
H2 H 0.98301 0.24305 0.34675 1.00000
Mn1 Mn 0.86772 0.32989 0.94992 1.00000
Mn2 Mn 0.17284 0.09971 0.71981 1.00000
Mn3 Mn 0.68667 0.37165 0.47538 1.00000
Mn4 Mn 0.35387 0.57439 0.67803 1.00000
Mn5 Mn 0.86773 0.84629 0.43354 1.00000
Mn6 Mn 0.17283 0.61610 0.20343 1.00000
Al1 Al 0.66326 0.83220 0.93593 1.00000
Al2 Al 0.37730 0.11380 0.21746 1.00000
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