MnAl2CuH8
Alexandria ALEXAlex-ID: agm007186847 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_308_spg12
MnAl2H7 Cu CuH4
2025-05-27 06:30:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007186847).
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 agm007186847
data_agm007186847
_cell_length_a 4.22675
_cell_length_b 4.22828
_cell_length_c 7.31287
_cell_angle_alpha 106.25120
_cell_angle_beta 107.47328
_cell_angle_gamma 119.74456
_cell_volume 92.59990
_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
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.20319 0.54322 0.37259 1.00000
Al2 Al 0.79681 0.45678 0.62741 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.87459 0.27736 0.07925 1.00000
H2 H 0.69188 0.03553 0.33530 1.00000
H3 H 0.12541 0.72264 0.92075 1.00000
H4 H 0.38126 0.49332 0.69163 1.00000
H5 H 0.61874 0.50668 0.30837 1.00000
H6 H 0.87863 0.04810 0.68841 1.00000
H7 H 0.12137 0.95190 0.31159 1.00000
H8 H 0.30812 0.96447 0.66470 1.00000
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