Zn5(FeH)2
Alexandria ALEXAlex-ID: agm007259744 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_404_spg12
Zn10Fe3 Zn2FeH6 ZnFe3H
2024-06-24 12:10:44.507098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007259744).
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 agm007259744
data_agm007259744
_cell_length_a 6.96621
_cell_length_b 6.96621
_cell_length_c 6.36133
_cell_angle_alpha 95.27573
_cell_angle_beta 95.27573
_cell_angle_gamma 21.83881
_cell_volume 114.33195
_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
Zn1 Zn 0.19075 0.19075 0.75593 1.00000
Zn2 Zn 0.80925 0.80925 0.24407 1.00000
Zn3 Zn 0.11906 0.11906 0.16386 1.00000
Zn4 Zn 0.88094 0.88094 0.83614 1.00000
Zn5 Zn 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.45671 0.45671 0.15613 1.00000
Fe2 Fe 0.54329 0.54329 0.84387 1.00000
H1 H 0.22677 0.22677 0.33746 1.00000
H2 H 0.77323 0.77323 0.66254 1.00000
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