HoPbF7
Alexandria ALEXAlex-ID: agm024174228 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
HoPbF7
2024-08-26 01:12:10.215157
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024174228).
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 agm024174228
data_agm024174228
_cell_length_a 5.83669
_cell_length_b 6.08629
_cell_length_c 8.37004
_cell_angle_alpha 76.70495
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.36684
_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 0.75850 0.65165 0.81301 1.00000
Ho2 Ho 0.25850 0.34835 0.18699 1.00000
Pb1 Pb 0.75992 0.81496 0.27233 1.00000
Pb2 Pb 0.25992 0.18504 0.72767 1.00000
F1 F 0.50440 0.49296 0.99639 1.00000
F2 F 0.00440 0.50704 0.00361 1.00000
F3 F 0.46906 0.89784 0.74427 1.00000
F4 F 0.96906 0.10216 0.25573 1.00000
F5 F 0.75166 0.77424 0.52592 1.00000
F6 F 0.25166 0.22576 0.47408 1.00000
F7 F 0.98529 0.95540 0.73907 1.00000
F8 F 0.48529 0.04460 0.26093 1.00000
F9 F 0.55668 0.38792 0.70892 1.00000
F10 F 0.05668 0.61208 0.29108 1.00000
F11 F 0.53258 0.53994 0.30149 1.00000
F12 F 0.03258 0.46006 0.69851 1.00000
F13 F 0.74380 0.87496 0.01688 1.00000
F14 F 0.24380 0.12504 0.98312 1.00000
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