Pr2Ho2Er3
Alexandria ALEXAlex-ID: agm017605976 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_51_spg65
HoEr5 PrHoEr Pr
2025-06-26 09:31:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017605976).
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
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# CIF generated by HEAS from Alexandria entry agm017605976
data_agm017605976
_cell_length_a 3.56900
_cell_length_b 3.56911
_cell_length_c 17.88580
_cell_angle_alpha 84.27197
_cell_angle_beta 95.72599
_cell_angle_gamma 89.98556
_cell_volume 225.55119
_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 0.78801 0.21199 0.57646 1.00000
Pr2 Pr 0.21199 0.78801 0.42354 1.00000
Ho1 Ho 0.93038 0.06962 0.86132 1.00000
Ho2 Ho 0.06962 0.93038 0.13868 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.63877 0.36122 0.27686 1.00000
Er3 Er 0.36123 0.63878 0.72314 1.00000
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