HoPbSeO5
Alexandria ALEXAlex-ID: agm005064708 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_28_spg15
PbSeO4 PbSeO3 Ho2O3
2022-07-13 04:23:27.628303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005064708).
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 agm005064708
data_agm005064708
_cell_length_a 6.22496
_cell_length_b 6.22496
_cell_length_c 8.23005
_cell_angle_alpha 107.69893
_cell_angle_beta 107.69893
_cell_angle_gamma 104.39875
_cell_volume 268.22012
_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 0.00000 0.00000 0.50000 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.29584 0.70416 0.25000 1.00000
Pb2 Pb 0.70416 0.29584 0.75000 1.00000
Se1 Se 0.69834 0.30166 0.25000 1.00000
Se2 Se 0.30166 0.69834 0.75000 1.00000
O1 O 0.07107 0.92893 0.25000 1.00000
O2 O 0.92893 0.07107 0.75000 1.00000
O3 O 0.88427 0.33103 0.10186 1.00000
O4 O 0.11573 0.66897 0.89814 1.00000
O5 O 0.66897 0.11573 0.39814 1.00000
O6 O 0.33103 0.88427 0.60186 1.00000
O7 O 0.77314 0.59252 0.40186 1.00000
O8 O 0.22686 0.40748 0.59814 1.00000
O9 O 0.40748 0.22686 0.09814 1.00000
O10 O 0.59252 0.77314 0.90186 1.00000
Get direct link