RbNp2AuSe5
Alexandria ALEXAlex-ID: agm005176458 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_389_spg140
RbNpAuSe3 NpSe2
2023-01-19 13:51:57.440420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176458).
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 agm005176458
data_agm005176458
_cell_length_a 7.90423
_cell_length_b 7.90423
_cell_length_c 9.54455
_cell_angle_alpha 114.46079
_cell_angle_beta 114.46079
_cell_angle_gamma 90.00000
_cell_volume 483.37847
_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
Rb1 Rb 0.25000 0.25000 0.50000 1.00000
Rb2 Rb 0.75000 0.75000 0.50000 1.00000
Np1 Np 0.15860 0.34140 0.00000 1.00000
Np2 Np 0.65860 0.15860 0.00000 1.00000
Np3 Np 0.34140 0.84140 1.00000 1.00000
Np4 Np 0.84140 0.65860 0.00000 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
Se1 Se 0.97029 0.47029 0.23303 1.00000
Se2 Se 0.73726 0.23726 0.76697 1.00000
Se3 Se 0.02971 0.52971 0.76697 1.00000
Se4 Se 0.23726 0.02971 0.76697 1.00000
Se5 Se 0.52971 0.73726 0.76697 1.00000
Se6 Se 0.76274 0.97029 0.23303 1.00000
Se7 Se 0.47029 0.26274 0.23303 1.00000
Se8 Se 0.26274 0.76274 0.23303 1.00000
Se9 Se 0.50000 0.50000 0.00000 1.00000
Se10 Se 0.00000 0.00000 0.00000 1.00000
Get direct link