Np4Sb3O2
Alexandria ALEXAlex-ID: agm005674370 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_512_spg12
Np2Sb Np2SbO2 Np4Sb5
2023-06-27 20:17:11.076517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674370).
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 agm005674370
data_agm005674370
_cell_length_a 3.97946
_cell_length_b 6.97672
_cell_length_c 8.36717
_cell_angle_alpha 70.53491
_cell_angle_beta 76.24314
_cell_angle_gamma 73.42945
_cell_volume 207.29273
_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 0.30224 0.28194 0.11358 1.00000
Np2 Np 0.69776 0.71806 0.88642 1.00000
Np3 Np 0.11824 0.17271 0.59081 1.00000
Np4 Np 0.88176 0.82729 0.40919 1.00000
Sb1 Sb 0.39952 0.50150 0.69947 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Sb3 Sb 0.60048 0.49850 0.30053 1.00000
O1 O 0.30599 0.01920 0.36882 1.00000
O2 O 0.69401 0.98080 0.63118 1.00000
Get direct link