Ho3H3Pb
Alexandria ALEXAlex-ID: agm006475321 · Space group: P6_3/m (#176)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_7_spg176
Ho5Pb4 HoH2 Ho5Pb3
2024-06-24 12:00:39.781076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006475321).
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 agm006475321
data_agm006475321
_cell_length_a 8.23642
_cell_length_b 8.23642
_cell_length_c 4.17231
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 245.12273
_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 0.71626 0.64974 0.75000 1.00000
Ho2 Ho 0.93347 0.28374 0.75000 1.00000
Ho3 Ho 0.64974 0.93347 0.25000 1.00000
Ho4 Ho 0.35026 0.06653 0.75000 1.00000
Ho5 Ho 0.06653 0.71626 0.25000 1.00000
Ho6 Ho 0.28374 0.35026 0.25000 1.00000
H1 H 0.03841 0.81201 0.75000 1.00000
H2 H 0.77360 0.96159 0.75000 1.00000
H3 H 0.81201 0.77360 0.25000 1.00000
H4 H 0.18799 0.22640 0.75000 1.00000
H5 H 0.22640 0.03841 0.25000 1.00000
H6 H 0.96159 0.18799 0.25000 1.00000
Pb1 Pb 0.66667 0.33333 0.25000 1.00000
Pb2 Pb 0.33333 0.66667 0.75000 1.00000
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