Ho4FeI5
Alexandria ALEXAlex-ID: agm006068435 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_9_spg12
Ho20Fe5I24 Ho7FeI12 Ho2Fe2I
2023-10-11 01:27:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006068435).
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 agm006068435
data_agm006068435
_cell_length_a 4.03642
_cell_length_b 8.97167
_cell_length_c 9.82991
_cell_angle_alpha 102.69384
_cell_angle_beta 101.84784
_cell_angle_gamma 90.00000
_cell_volume 339.49632
_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 0.63265 0.06774 0.26530 1.00000
Ho2 Ho 0.99947 0.20309 0.99894 1.00000
Ho3 Ho 0.36735 0.93226 0.73470 1.00000
Ho4 Ho 0.00053 0.79691 0.00106 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
I1 I 0.16666 0.33729 0.33332 1.00000
I2 I 0.17317 0.83332 0.34634 1.00000
I3 I 0.82683 0.16668 0.65366 1.00000
I4 I 0.50000 0.50000 0.00000 1.00000
I5 I 0.83334 0.66271 0.66668 1.00000
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