Pr3(YHo3)2
Alexandria ALEXAlex-ID: agm003347652 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_166_spg139
Pr2Ho7 PrYHo PrHo8
2022-02-02 19:51:55.247901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003347652).
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 agm003347652
data_agm003347652
_cell_length_a 4.76904
_cell_length_b 4.76904
_cell_length_c 17.07914
_cell_angle_alpha 98.02563
_cell_angle_beta 98.02563
_cell_angle_gamma 90.00000
_cell_volume 380.79725
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.79523 0.79523 0.59045 1.00000
Pr3 Pr 0.20477 0.20477 0.40955 1.00000
Y1 Y 0.45348 0.45348 0.90696 1.00000
Y2 Y 0.54652 0.54652 0.09304 1.00000
Ho1 Ho 0.12109 0.62109 0.24218 1.00000
Ho2 Ho 0.62109 0.12109 0.24218 1.00000
Ho3 Ho 0.87891 0.37891 0.75782 1.00000
Ho4 Ho 0.37891 0.87891 0.75782 1.00000
Ho5 Ho 0.69203 0.69203 0.38407 1.00000
Ho6 Ho 0.30797 0.30797 0.61593 1.00000
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