Pr4Y5Er2
Alexandria ALEXAlex-ID: agm003359778 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_171_spg12
YEr5 Pr PrY2
2022-02-05 20:21:07.810071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003359778).
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 agm003359778
data_agm003359778
_cell_length_a 3.53618
_cell_length_b 9.00433
_cell_length_c 12.17355
_cell_angle_alpha 99.08863
_cell_angle_beta 98.35119
_cell_angle_gamma 90.00000
_cell_volume 378.58770
_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 0.63022 0.53585 0.26043 1.00000
Pr2 Pr 0.02698 0.68906 0.05395 1.00000
Pr3 Pr 0.36978 0.46415 0.73957 1.00000
Pr4 Pr 0.97302 0.31094 0.94605 1.00000
Y1 Y 0.17767 0.90402 0.35533 1.00000
Y2 Y 0.82233 0.09598 0.64467 1.00000
Y3 Y 0.23188 0.32381 0.46377 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.76812 0.67619 0.53623 1.00000
Er1 Er 0.89859 0.80221 0.79718 1.00000
Er2 Er 0.10141 0.19779 0.20282 1.00000
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