Pa8Pd6O
Alexandria ALEXAlex-ID: agm072902134 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_95_spg148
PaPd3 Pa PaO2
2024-10-07 04:06:31.608546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072902134).
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 agm072902134
data_agm072902134
_cell_length_a 5.84983
_cell_length_b 6.99612
_cell_length_c 8.28002
_cell_angle_alpha 106.97724
_cell_angle_beta 87.83631
_cell_angle_gamma 100.18409
_cell_volume 318.96017
_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
Pa1 Pa 0.77003 0.96106 0.23800 1.00000
Pa2 Pa 0.22997 0.03894 0.76200 1.00000
Pa3 Pa 0.78533 0.27825 0.69608 1.00000
Pa4 Pa 0.59195 0.43516 0.12525 1.00000
Pa5 Pa 0.31478 0.26018 0.45117 1.00000
Pa6 Pa 0.21467 0.72175 0.30392 1.00000
Pa7 Pa 0.40805 0.56484 0.87475 1.00000
Pa8 Pa 0.68522 0.73982 0.54883 1.00000
Pd1 Pd 0.85824 0.37135 0.37300 1.00000
Pd2 Pd 0.93938 0.68263 0.95032 1.00000
Pd3 Pd 0.69641 0.99174 0.89314 1.00000
Pd4 Pd 0.14176 0.62865 0.62700 1.00000
Pd5 Pd 0.06062 0.31737 0.04968 1.00000
Pd6 Pd 0.30359 0.00826 0.10686 1.00000
O1 O 0.50000 0.00000 0.50000 1.00000
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