Np4Sb5
Alexandria ALEXAlex-ID: agm009614844 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_577_spg8
Np4Sb5
2024-04-01 02:08:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009614844).
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 agm009614844
data_agm009614844
_cell_length_a 8.66615
_cell_length_b 8.66615
_cell_length_c 8.08333
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 124.23002
_cell_volume 501.92111
_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 0.69761 0.30239 0.00000 1.00000
Np2 Np 0.19761 0.80239 0.50000 1.00000
Np3 Np 0.30239 0.69761 0.00000 1.00000
Np4 Np 0.80239 0.19761 0.50000 1.00000
Np5 Np 0.63713 0.63713 0.64095 1.00000
Np6 Np 0.36287 0.36287 0.35905 1.00000
Np7 Np 0.86287 0.86287 0.14095 1.00000
Np8 Np 0.13713 0.13713 0.85905 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.00000 0.00000 0.50000 1.00000
Sb3 Sb 0.97548 0.69913 0.84143 1.00000
Sb4 Sb 0.30087 0.02452 0.15857 1.00000
Sb5 Sb 0.80087 0.52452 0.34143 1.00000
Sb6 Sb 0.47548 0.19913 0.65857 1.00000
Sb7 Sb 0.02452 0.30087 0.15857 1.00000
Sb8 Sb 0.69913 0.97548 0.84143 1.00000
Sb9 Sb 0.19913 0.47548 0.65857 1.00000
Sb10 Sb 0.52452 0.80087 0.34143 1.00000
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