Y5SbPd2
Alexandria ALEXAlex-ID: agm005285983 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
Y5Sb3 Y3Pd YPd
2022-12-12 11:05:32.546853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285983).
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 agm005285983
data_agm005285983
_cell_length_a 8.80295
_cell_length_b 8.80295
_cell_length_c 8.80295
_cell_angle_alpha 127.63979
_cell_angle_beta 127.63979
_cell_angle_gamma 77.20928
_cell_volume 415.06546
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.79980 0.29980 0.81315 1.00000
Y4 Y 0.20020 0.70020 0.18685 1.00000
Y5 Y 0.48666 0.98666 0.18685 1.00000
Y6 Y 0.29980 0.48666 0.50000 1.00000
Y7 Y 0.01334 0.20020 0.50000 1.00000
Y8 Y 0.51334 0.01334 0.81315 1.00000
Y9 Y 0.70020 0.51334 0.50000 1.00000
Y10 Y 0.98666 0.79980 0.50000 1.00000
Sb1 Sb 0.25000 0.25000 0.00000 1.00000
Sb2 Sb 0.75000 0.75000 0.00000 1.00000
Pd1 Pd 0.13604 0.63604 0.77209 1.00000
Pd2 Pd 0.86396 0.36396 0.22791 1.00000
Pd3 Pd 0.63604 0.86396 0.50000 1.00000
Pd4 Pd 0.36396 0.13604 0.50000 1.00000
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