PmY5Pd2
Alexandria ALEXAlex-ID: agm006016929 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_488_spg63
Y3Pd YPd Pm
2023-09-05 21:35:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016929).
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 agm006016929
data_agm006016929
_cell_length_a 3.86910
_cell_length_b 6.75114
_cell_length_c 18.18415
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 106.65163
_cell_volume 455.06637
_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 0.65234 0.30467 0.75000 1.00000
Pm2 Pm 0.34766 0.69533 0.25000 1.00000
Y1 Y 0.94671 0.89342 0.89870 1.00000
Y2 Y 0.94671 0.89342 0.60130 1.00000
Y3 Y 0.34418 0.68835 0.45569 1.00000
Y4 Y 0.34418 0.68835 0.04431 1.00000
Y5 Y 0.61205 0.22409 0.25000 1.00000
Y6 Y 0.38795 0.77591 0.75000 1.00000
Y7 Y 0.65582 0.31165 0.54431 1.00000
Y8 Y 0.65582 0.31165 0.95569 1.00000
Y9 Y 0.05329 0.10658 0.10130 1.00000
Y10 Y 0.05329 0.10658 0.39870 1.00000
Pd1 Pd 0.74177 0.48354 0.37216 1.00000
Pd2 Pd 0.74177 0.48354 0.12784 1.00000
Pd3 Pd 0.25823 0.51646 0.62784 1.00000
Pd4 Pd 0.25823 0.51646 0.87216 1.00000
Get direct link