Pr2Y8Ho3
Alexandria ALEXAlex-ID: agm005604283 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_471_spg55
YHo8 Y5Ho PrY2
2023-06-16 18:20:42.964860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604283).
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 agm005604283
data_agm005604283
_cell_length_a 3.52914
_cell_length_b 11.77841
_cell_length_c 20.79040
_cell_angle_alpha 89.99996
_cell_angle_beta 89.99464
_cell_angle_gamma 89.99999
_cell_volume 864.20874
_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 0.82146 0.09955 1.00000
Pr2 Pr 0.50000 0.17854 0.90045 1.00000
Pr3 Pr 0.50000 0.32146 0.40045 1.00000
Pr4 Pr 0.50000 0.67854 0.59955 1.00000
Y1 Y 1.00000 0.70812 0.94691 1.00000
Y2 Y 0.00000 0.29188 0.05309 1.00000
Y3 Y 0.00000 0.20812 0.55309 1.00000
Y4 Y 1.00000 0.79188 0.44691 1.00000
Y5 Y 0.99999 0.05541 0.15882 1.00000
Y6 Y 0.00001 0.94459 0.84118 1.00000
Y7 Y 0.00001 0.55542 0.34119 1.00000
Y8 Y 0.99999 0.44458 0.65881 1.00000
Y9 Y 0.50000 0.87090 0.28644 1.00000
Y10 Y 0.50000 0.12910 0.71356 1.00000
Y11 Y 0.50000 0.37090 0.21356 1.00000
Y12 Y 0.50000 0.62910 0.78644 1.00000
Y13 Y 0.50001 0.54583 0.07164 1.00000
Y14 Y 0.49999 0.45417 0.92836 1.00000
Y15 Y 0.49999 0.04583 0.42836 1.00000
Y16 Y 0.50001 0.95417 0.57164 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.00000 0.50000 0.50000 1.00000
Ho3 Ho 0.99998 0.64477 0.20114 1.00000
Ho4 Ho 0.00001 0.35523 0.79886 1.00000
Ho5 Ho 0.00002 0.14477 0.29886 1.00000
Ho6 Ho 0.99998 0.85523 0.70114 1.00000
