Np8Bi6Au
Alexandria ALEXAlex-ID: agm072117437 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
Np2Bi Bi NpAu2
2024-10-11 08:18:55.811751
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072117437).
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 agm072117437
data_agm072117437
_cell_length_a 8.32231
_cell_length_b 8.32231
_cell_length_c 8.32231
_cell_angle_alpha 68.21165
_cell_angle_beta 68.21165
_cell_angle_gamma 68.21165
_cell_volume 478.43985
_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 0.66159 0.66159 0.66159 1.00000
Np2 Np 0.33841 0.33841 0.33841 1.00000
Np3 Np 0.22223 0.64390 0.91988 1.00000
Np4 Np 0.64390 0.91988 0.22223 1.00000
Np5 Np 0.91988 0.22223 0.64390 1.00000
Np6 Np 0.77777 0.35610 0.08012 1.00000
Np7 Np 0.35610 0.08012 0.77777 1.00000
Np8 Np 0.08012 0.77777 0.35610 1.00000
Bi1 Bi 0.92045 0.52279 0.27716 1.00000
Bi2 Bi 0.52279 0.27716 0.92045 1.00000
Bi3 Bi 0.27716 0.92045 0.52279 1.00000
Bi4 Bi 0.07955 0.47721 0.72284 1.00000
Bi5 Bi 0.47721 0.72284 0.07955 1.00000
Bi6 Bi 0.72284 0.07955 0.47721 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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