Ho5H2Pb5
Alexandria ALEXAlex-ID: agm003374094 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_43_spg12
HoHPb HoPb
2022-02-08 17:48:47.613864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374094).
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 agm003374094
data_agm003374094
_cell_length_a 4.38717
_cell_length_b 6.14042
_cell_length_c 11.52903
_cell_angle_alpha 92.30195
_cell_angle_beta 90.00000
_cell_angle_gamma 110.93059
_cell_volume 289.81876
_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 0.06594 0.13187 0.31380 1.00000
Ho2 Ho 0.64970 0.29941 0.81476 1.00000
Ho3 Ho 0.35030 0.70059 0.18524 1.00000
Ho4 Ho 0.93406 0.86813 0.68620 1.00000
Ho5 Ho 0.00000 0.00000 0.00000 1.00000
H1 H 0.07428 0.14857 0.82599 1.00000
H2 H 0.92572 0.85143 0.17401 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
Pb2 Pb 0.65095 0.30191 0.11880 1.00000
Pb3 Pb 0.77866 0.55731 0.38871 1.00000
Pb4 Pb 0.22134 0.44269 0.61129 1.00000
Pb5 Pb 0.34905 0.69809 0.88120 1.00000
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