Np2SiIr6
Alexandria ALEXAlex-ID: agm005752188 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_724_spg12
NpIr3 Np6Si19Ir30 NpIr2
2023-07-09 13:58:20.826474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752188).
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 agm005752188
data_agm005752188
_cell_length_a 5.50676
_cell_length_b 5.46414
_cell_length_c 6.11205
_cell_angle_alpha 77.92991
_cell_angle_beta 90.00000
_cell_angle_gamma 120.25833
_cell_volume 154.12916
_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 0.64411 0.28822 0.14771 1.00000
Np2 Np 0.35589 0.71178 0.85229 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.87790 0.26993 0.68960 1.00000
Ir2 Ir 0.88320 0.76640 0.68603 1.00000
Ir3 Ir 0.39203 0.26993 0.68960 1.00000
Ir4 Ir 0.12210 0.73007 0.31040 1.00000
Ir5 Ir 0.11680 0.23360 0.31397 1.00000
Ir6 Ir 0.60797 0.73007 0.31040 1.00000
Get direct link