PrY11
Alexandria ALEXAlex-ID: agm017882254 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11_5_spg191
PrY8 Y
2025-01-22 02:39:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017882254).
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 agm017882254
data_agm017882254
_cell_length_a 8.88957
_cell_length_b 3.62104
_cell_length_c 12.52400
_cell_angle_alpha 90.00000
_cell_angle_beta 103.59761
_cell_angle_gamma 90.00000
_cell_volume 391.84167
_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 0.33700 0.50000 0.26352 1.00000
Y1 Y 0.33666 0.00000 0.01255 1.00000
Y2 Y 0.00220 0.50000 0.37616 1.00000
Y3 Y 0.67111 0.00000 0.23695 1.00000
Y4 Y 0.67041 0.50000 0.48792 1.00000
Y5 Y 0.33833 0.00000 0.51655 1.00000
Y6 Y 0.33697 0.50000 0.76417 1.00000
Y7 Y 0.66687 0.50000 0.98506 1.00000
Y8 Y 0.00325 0.00000 0.62579 1.00000
Y9 Y 0.99685 0.00000 0.12351 1.00000
Y10 Y 0.66892 0.00000 0.73653 1.00000
Y11 Y 0.00174 0.50000 0.87471 1.00000
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