PrY3Zn
Alexandria ALEXAlex-ID: agm005774784 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2678_spg12
PrY2 Y2Zn Pr
2023-07-06 08:14:30.469729
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774784).
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 agm005774784
data_agm005774784
_cell_length_a 3.67983
_cell_length_b 6.36036
_cell_length_c 13.71541
_cell_angle_alpha 105.79257
_cell_angle_beta 97.70945
_cell_angle_gamma 90.00000
_cell_volume 305.87662
_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 0.77088 0.76539 0.54177 1.00000
Pr2 Pr 0.22912 0.23461 0.45823 1.00000
Y1 Y 0.01050 0.25457 0.02100 1.00000
Y2 Y 0.98950 0.74543 0.97900 1.00000
Y3 Y 0.39415 0.90916 0.78830 1.00000
Y4 Y 0.60585 0.09084 0.21170 1.00000
Y5 Y 0.14922 0.62032 0.29844 1.00000
Y6 Y 0.85078 0.37968 0.70156 1.00000
Zn1 Zn 0.56406 0.59412 0.12813 1.00000
Zn2 Zn 0.43594 0.40588 0.87187 1.00000
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