Ho8Pb6Se
Alexandria ALEXAlex-ID: agm071584064 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
HoPb Ho5Pb3Se
2024-10-07 07:22:57.864592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071584064).
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 agm071584064
data_agm071584064
_cell_length_a 8.12564
_cell_length_b 8.12564
_cell_length_c 8.12564
_cell_angle_alpha 69.16564
_cell_angle_beta 69.16564
_cell_angle_gamma 69.16564
_cell_volume 452.22094
_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 0.33039 0.33039 0.33039 1.00000
Ho2 Ho 0.66961 0.66961 0.66961 1.00000
Ho3 Ho 0.82952 0.08931 0.34402 1.00000
Ho4 Ho 0.34402 0.82952 0.08931 1.00000
Ho5 Ho 0.08931 0.34402 0.82952 1.00000
Ho6 Ho 0.17048 0.91069 0.65598 1.00000
Ho7 Ho 0.65598 0.17048 0.91069 1.00000
Ho8 Ho 0.91069 0.65598 0.17048 1.00000
Pb1 Pb 0.08600 0.68360 0.46999 1.00000
Pb2 Pb 0.46999 0.08600 0.68360 1.00000
Pb3 Pb 0.68360 0.46999 0.08600 1.00000
Pb4 Pb 0.91400 0.31640 0.53001 1.00000
Pb5 Pb 0.53001 0.91400 0.31640 1.00000
Pb6 Pb 0.31640 0.53001 0.91400 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Get direct link