AlFe(CuH4)2
Alexandria ALEXAlex-ID: agm007201841 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_44_spg2
AlFeH3 Cu CuH4
2024-10-22 02:06:49.151960
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007201841).
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 agm007201841
data_agm007201841
_cell_length_a 4.06670
_cell_length_b 4.71104
_cell_length_c 4.69859
_cell_angle_alpha 91.40483
_cell_angle_beta 91.53419
_cell_angle_gamma 100.06639
_cell_volume 88.56086
_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
Al1 Al 0.50000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.07186 0.51138 0.24738 1.00000
Cu2 Cu 0.92814 0.48862 0.75262 1.00000
H1 H 0.27747 0.63624 0.53284 1.00000
H2 H 0.25597 0.18151 0.24011 1.00000
H3 H 0.72253 0.36376 0.46716 1.00000
H4 H 0.78664 0.26209 0.01724 1.00000
H5 H 0.21336 0.73791 0.98276 1.00000
H6 H 0.76561 0.85744 0.25128 1.00000
H7 H 0.23439 0.14256 0.74872 1.00000
H8 H 0.74403 0.81849 0.75989 1.00000
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