Pr3Y8Ho3
Alexandria ALEXAlex-ID: agm005690524 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
YHo8 Y5Ho PrY2
2023-06-29 12:01:27.137078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690524).
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 agm005690524
data_agm005690524
_cell_length_a 5.70781
_cell_length_b 9.74733
_cell_length_c 9.74814
_cell_angle_alpha 102.19868
_cell_angle_beta 72.97060
_cell_angle_gamma 72.96826
_cell_volume 468.91550
_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
Pr1 Pr 0.50000 1.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.81736 0.18265 1.00000
Pr3 Pr 1.00000 0.18264 0.81735 1.00000
Y1 Y 0.66042 0.12004 0.55912 1.00000
Y2 Y 0.33958 0.87996 0.44088 1.00000
Y3 Y 0.66042 0.55913 0.12002 1.00000
Y4 Y 0.33958 0.44087 0.87998 1.00000
Y5 Y 0.84122 0.76083 0.55674 1.00000
Y6 Y 0.15878 0.23917 0.44326 1.00000
Y7 Y 0.84120 0.55672 0.76084 1.00000
Y8 Y 0.15880 0.44328 0.23916 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.79724 0.20304 0.20303 1.00000
Ho3 Ho 0.20276 0.79696 0.79697 1.00000
Get direct link