Pr5YHo12
Alexandria ALEXAlex-ID: agm064693231 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_64_spg8
Pr2Ho7 PrYHo Pr
2024-12-20 18:42:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064693231).
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 agm064693231
data_agm064693231
_cell_length_a 6.25168
_cell_length_b 6.25168
_cell_length_c 17.40948
_cell_angle_alpha 86.59730
_cell_angle_beta 93.40270
_cell_angle_gamma 59.96688
_cell_volume 584.89726
_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 0.50000 0.00000 1.00000
Pr2 Pr 0.16716 0.16716 0.00000 1.00000
Pr3 Pr 0.83284 0.83284 0.00000 1.00000
Pr4 Pr 0.66661 0.66661 0.50000 1.00000
Pr5 Pr 0.33339 0.33339 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.11043 0.88957 0.83085 1.00000
Ho2 Ho 0.88957 0.11043 0.16915 1.00000
Ho3 Ho 0.38886 0.61114 0.66830 1.00000
Ho4 Ho 0.61114 0.38886 0.33170 1.00000
Ho5 Ho 0.05640 0.27604 0.66828 1.00000
Ho6 Ho 0.27604 0.05640 0.33172 1.00000
Ho7 Ho 0.72396 0.94360 0.66828 1.00000
Ho8 Ho 0.94360 0.72396 0.33172 1.00000
Ho9 Ho 0.22307 0.44352 0.16929 1.00000
Ho10 Ho 0.55648 0.77693 0.16929 1.00000
Ho11 Ho 0.44352 0.22307 0.83071 1.00000
Ho12 Ho 0.77693 0.55648 0.83071 1.00000
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