Ho5PaP6
Alexandria ALEXAlex-ID: agm006129256 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Ho5PaP6
2023-09-03 13:37:49.716727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129256).
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 agm006129256
data_agm006129256
_cell_length_a 6.88569
_cell_length_b 6.89198
_cell_length_c 6.88961
_cell_angle_alpha 59.98860
_cell_angle_beta 80.41295
_cell_angle_gamma 70.55044
_cell_volume 266.96138
_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
P1 P 0.75182 0.08262 0.32889 1.00000
P2 P 0.24818 0.58849 0.32889 1.00000
P3 P 0.24714 0.24600 0.00000 1.00000
P4 P 0.75286 0.75400 1.00000 1.00000
P5 P 0.75182 0.41151 0.67111 1.00000
P6 P 0.24818 0.91738 0.67111 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.50000 0.16802 0.66396 1.00000
Ho2 Ho 0.00000 0.33364 0.33272 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Ho4 Ho 1.00000 0.66636 0.66728 1.00000
Ho5 Ho 0.50000 0.83198 0.33604 1.00000
Get direct link