PmY3Zn
Alexandria ALEXAlex-ID: agm005774819 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2678_spg12
Pm5Y Y2Zn PmY2
2023-07-06 07:22:55.034556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774819).
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 agm005774819
data_agm005774819
_cell_length_a 3.66122
_cell_length_b 6.44129
_cell_length_c 13.17097
_cell_angle_alpha 99.99900
_cell_angle_beta 97.98931
_cell_angle_gamma 90.00000
_cell_volume 302.83091
_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
Pm1 Pm 0.75960 0.75608 0.51921 1.00000
Pm2 Pm 0.24040 0.24392 0.48079 1.00000
Y1 Y 0.01664 0.24778 0.03329 1.00000
Y2 Y 0.98336 0.75222 0.96671 1.00000
Y3 Y 0.38186 0.95634 0.76372 1.00000
Y4 Y 0.61814 0.04366 0.23628 1.00000
Y5 Y 0.14486 0.54904 0.28972 1.00000
Y6 Y 0.85514 0.45096 0.71028 1.00000
Zn1 Zn 0.55966 0.58787 0.11932 1.00000
Zn2 Zn 0.44034 0.41213 0.88068 1.00000
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