YPd9
Alexandria ALEXAlex-ID: agm014160190 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9_114_spg2
YPd8 Pd
2025-02-06 19:53:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014160190).
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
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# CIF generated by HEAS from Alexandria entry agm014160190
data_agm014160190
_cell_length_a 4.93879
_cell_length_b 5.67087
_cell_length_c 6.38436
_cell_angle_alpha 76.97703
_cell_angle_beta 75.16630
_cell_angle_gamma 73.14060
_cell_volume 163.19887
_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 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.70069 0.79954 0.58568 1.00000
Pd2 Pd 0.91703 0.59501 0.19560 1.00000
Pd3 Pd 0.08297 0.40499 0.80440 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
Pd5 Pd 0.29931 0.20046 0.41432 1.00000
Pd6 Pd 0.30035 0.69500 0.40316 1.00000
Pd7 Pd 0.89972 0.10340 0.20760 1.00000
Pd8 Pd 0.69965 0.30500 0.59684 1.00000
Pd9 Pd 0.10028 0.89660 0.79240 1.00000
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