Li4Ho4HF8
Alexandria ALEXAlex-ID: agm073029136 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D8_29_spg119
LiHoF4 LiF HoH2 Ho
2024-10-29 01:52:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073029136).
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 agm073029136
data_agm073029136
_cell_length_a 7.59706
_cell_length_b 7.59706
_cell_length_c 7.59706
_cell_angle_alpha 123.26411
_cell_angle_beta 123.26411
_cell_angle_gamma 84.43365
_cell_volume 293.23274
_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
Li1 Li 0.31483 0.13025 0.18457 1.00000
Li2 Li 0.86975 0.05432 0.18457 1.00000
Li3 Li 0.94568 0.13025 0.81543 1.00000
Li4 Li 0.86975 0.68517 0.81543 1.00000
Ho1 Ho 0.86855 0.64233 0.22622 1.00000
Ho2 Ho 0.35767 0.58388 0.22622 1.00000
Ho3 Ho 0.41612 0.64233 0.77378 1.00000
Ho4 Ho 0.35767 0.13145 0.77378 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
F1 F 0.65016 0.44074 0.20941 1.00000
F2 F 0.55926 0.76867 0.20941 1.00000
F3 F 0.23133 0.44074 0.79059 1.00000
F4 F 0.55926 0.34984 0.79059 1.00000
F5 F 0.17268 0.84465 0.32803 1.00000
F6 F 0.15535 0.48338 0.32803 1.00000
F7 F 0.51662 0.84465 0.67197 1.00000
F8 F 0.15535 0.82732 0.67197 1.00000
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