PrY2Ho5Er
Alexandria ALEXAlex-ID: agm005146558 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
PrHo8 Ho7Er2 YHo8 PrY2
2023-01-19 16:12:53.531355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146558).
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 agm005146558
data_agm005146558
_cell_length_a 5.61733
_cell_length_b 10.26209
_cell_length_c 10.56420
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.88415
_cell_volume 585.72603
_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 0.58333 0.16667 0.95376 1.00000
Pr2 Pr 0.41667 0.83333 0.45376 1.00000
Y1 Y 0.88672 0.77344 0.81932 1.00000
Y2 Y 0.11106 0.22213 0.73371 1.00000
Y3 Y 0.11328 0.22656 0.31932 1.00000
Y4 Y 0.88894 0.77787 0.23371 1.00000
Ho1 Ho 0.38741 0.77481 0.02184 1.00000
Ho2 Ho 0.71806 0.43612 0.81238 1.00000
Ho3 Ho 0.47914 0.95828 0.73721 1.00000
Ho4 Ho 0.29795 0.59591 0.70900 1.00000
Ho5 Ho 0.98105 0.96210 0.52489 1.00000
Ho6 Ho 0.61259 0.22519 0.52184 1.00000
Ho7 Ho 0.28194 0.56388 0.31238 1.00000
Ho8 Ho 0.52086 0.04172 0.23721 1.00000
Ho9 Ho 0.70205 0.40409 0.20900 1.00000
Ho10 Ho 0.01895 0.03790 0.02489 1.00000
Er1 Er 0.79916 0.59833 0.51185 1.00000
Er2 Er 0.20084 0.40167 0.01185 1.00000
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