HoFe3H8
Alexandria ALEXAlex-ID: agm007302046 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_3_spg164
FeH HoFeH5 H2
2024-06-04 03:20:13.378886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007302046).
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 agm007302046
data_agm007302046
_cell_length_a 4.19173
_cell_length_b 4.19143
_cell_length_c 5.60983
_cell_angle_alpha 90.01538
_cell_angle_beta 90.02021
_cell_angle_gamma 120.00815
_cell_volume 85.34925
_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
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.66668 0.33331 0.87003 1.00000
Fe2 Fe 0.33332 0.66669 0.12997 1.00000
Fe3 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.36642 0.29236 0.16506 1.00000
H2 H 0.92566 0.63318 0.16451 1.00000
H3 H 0.70774 0.07416 0.16483 1.00000
H4 H 0.63358 0.70764 0.83494 1.00000
H5 H 0.07434 0.36682 0.83549 1.00000
H6 H 0.29226 0.92584 0.83517 1.00000
H7 H 0.66683 0.33298 0.58265 1.00000
H8 H 0.33317 0.66702 0.41735 1.00000
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