Y(PdO2)2
Alexandria ALEXAlex-ID: agm003215840 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_64_spg88
Y(PdO2)2
2021-12-05 19:00:15.629766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003215840).
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 agm003215840
data_agm003215840
_cell_length_a 6.52045
_cell_length_b 6.52045
_cell_length_c 6.52045
_cell_angle_alpha 126.94310
_cell_angle_beta 126.94310
_cell_angle_gamma 78.34354
_cell_volume 171.49690
_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 0.75000 0.25000 0.50000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.37500 0.62500 0.25000 1.00000
Pd2 Pd 0.87500 0.62500 0.25000 1.00000
Pd3 Pd 0.37500 0.12500 0.75000 1.00000
Pd4 Pd 0.37500 0.62500 0.75000 1.00000
O1 O 0.99201 0.95971 0.34700 1.00000
O2 O 0.70971 0.86271 0.46770 1.00000
O3 O 0.39501 0.24201 0.53230 1.00000
O4 O 0.61271 0.64501 0.65300 1.00000
O5 O 0.75799 0.29029 0.15300 1.00000
O6 O 0.04029 0.38729 0.03230 1.00000
O7 O 0.13729 0.60499 0.84700 1.00000
O8 O 0.35499 0.00799 0.96770 1.00000
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