HfMn(AlH4)2
Alexandria ALEXAlex-ID: agm007622356 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_812_spg12
MnAl Mn4Al11 MnAl2H7 HfH2
2024-02-08 01:10:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007622356).
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 agm007622356
data_agm007622356
_cell_length_a 4.15031
_cell_length_b 5.58785
_cell_length_c 6.77491
_cell_angle_alpha 127.35828
_cell_angle_beta 127.91675
_cell_angle_gamma 78.40597
_cell_volume 94.74926
_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
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.32112 0.16609 0.81764 1.00000
Al2 Al 0.67888 0.83391 0.18236 1.00000
H1 H 0.51531 0.45840 0.81729 1.00000
H2 H 0.49685 0.79451 0.67013 1.00000
H3 H 0.48469 0.54160 0.18271 1.00000
H4 H 0.88210 0.94725 0.69558 1.00000
H5 H 0.11790 0.05275 0.30442 1.00000
H6 H 0.04764 0.65053 0.88628 1.00000
H7 H 0.95236 0.34947 0.11372 1.00000
H8 H 0.50315 0.20549 0.32987 1.00000
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