Ni8Mo3Pd2
Alexandria ALEXAlex-ID: agm003358293 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_139_spg166
Ni3Mo MoPd8 MoPd2
2022-02-03 09:01:12.395582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003358293).
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 agm003358293
data_agm003358293
_cell_length_a 4.63129
_cell_length_b 4.63129
_cell_length_c 9.66326
_cell_angle_alpha 76.13506
_cell_angle_beta 76.13506
_cell_angle_gamma 60.00000
_cell_volume 172.48902
_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
Ni1 Ni 0.72821 0.72821 0.81538 1.00000
Ni2 Ni 0.27179 0.27179 0.18462 1.00000
Ni3 Ni 0.22898 0.72944 0.31214 1.00000
Ni4 Ni 0.72944 0.22898 0.31214 1.00000
Ni5 Ni 0.72944 0.72944 0.31214 1.00000
Ni6 Ni 0.27056 0.77102 0.68786 1.00000
Ni7 Ni 0.77102 0.27056 0.68786 1.00000
Ni8 Ni 0.27056 0.27056 0.68786 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Mo2 Mo 0.81575 0.81575 0.55275 1.00000
Mo3 Mo 0.18425 0.18425 0.44725 1.00000
Pd1 Pd 0.64070 0.64070 0.07790 1.00000
Pd2 Pd 0.35930 0.35930 0.92210 1.00000
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