Np8Pd6O
Alexandria ALEXAlex-ID: agm072372289 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_751_spg2
Np7O12 NpPd3 Np
2024-10-11 16:47:55.726152
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072372289).
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 agm072372289
data_agm072372289
_cell_length_a 5.65110
_cell_length_b 6.40436
_cell_length_c 8.72091
_cell_angle_alpha 98.00606
_cell_angle_beta 97.96819
_cell_angle_gamma 101.66492
_cell_volume 301.53228
_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
Np1 Np 0.21608 0.51346 0.38915 1.00000
Np2 Np 0.78392 0.48654 0.61085 1.00000
Np3 Np 0.31931 0.62907 0.13387 1.00000
Np4 Np 0.24669 0.60769 0.67488 1.00000
Np5 Np 0.21798 0.14524 0.42528 1.00000
Np6 Np 0.68069 0.37093 0.86613 1.00000
Np7 Np 0.75331 0.39231 0.32512 1.00000
Np8 Np 0.78202 0.85476 0.57472 1.00000
Pd1 Pd 0.94645 0.18886 0.07973 1.00000
Pd2 Pd 0.58257 0.83699 0.91876 1.00000
Pd3 Pd 0.87863 0.79965 0.21365 1.00000
Pd4 Pd 0.05355 0.81114 0.92027 1.00000
Pd5 Pd 0.41743 0.16301 0.08124 1.00000
Pd6 Pd 0.12137 0.20035 0.78635 1.00000
O1 O 0.50000 0.00000 0.50000 1.00000
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