PrY5HoTh2
Alexandria ALEXAlex-ID: agm005176201 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
Y2Th Ho2Th PrY2
2023-01-19 17:28:15.947853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176201).
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 agm005176201
data_agm005176201
_cell_length_a 8.77602
_cell_length_b 8.77602
_cell_length_c 9.97977
_cell_angle_alpha 116.08414
_cell_angle_beta 116.08414
_cell_angle_gamma 90.00000
_cell_volume 601.96033
_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 0.25000 0.75000 0.50000 1.00000
Pr2 Pr 0.75000 0.25000 0.50000 1.00000
Y1 Y 0.93083 0.43083 0.27768 1.00000
Y2 Y 0.65314 0.15314 0.72232 1.00000
Y3 Y 0.06917 0.56917 0.72232 1.00000
Y4 Y 0.15314 0.06917 0.72232 1.00000
Y5 Y 0.56917 0.65314 0.72232 1.00000
Y6 Y 0.84686 0.93083 0.27768 1.00000
Y7 Y 0.43083 0.34686 0.27768 1.00000
Y8 Y 0.34686 0.84686 0.27768 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.25000 0.25000 0.50000 1.00000
Ho2 Ho 0.75000 0.75000 0.50000 1.00000
Th1 Th 0.11901 0.38099 0.00000 1.00000
Th2 Th 0.61901 0.11901 1.00000 1.00000
Th3 Th 0.38099 0.88099 0.00000 1.00000
Th4 Th 0.88099 0.61901 0.00000 1.00000
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