Sm8NiIr3Cl4
Alexandria ALEXAlex-ID: agm004734722 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
Sm7Ir3 Sm3IrCl3 SmNi Sm5Ir3
2022-07-05 08:12:02.627891
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004734722).
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 agm004734722
data_agm004734722
_cell_length_a 8.12951
_cell_length_b 8.80792
_cell_length_c 8.12717
_cell_angle_alpha 117.52068
_cell_angle_beta 120.00950
_cell_angle_gamma 90.00000
_cell_volume 426.18717
_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
Sm1 Sm 0.23265 0.70146 0.96929 1.00000
Sm2 Sm 0.23262 0.70145 0.46524 1.00000
Sm3 Sm 0.26471 0.29463 0.52941 1.00000
Sm4 Sm 0.73664 0.70146 0.96929 1.00000
Sm5 Sm 0.26336 0.29854 0.03071 1.00000
Sm6 Sm 0.73529 0.70537 0.47059 1.00000
Sm7 Sm 0.76738 0.29855 0.53476 1.00000
Sm8 Sm 0.76735 0.29854 0.03071 1.00000
Ni1 Ni 0.00000 0.50000 0.00000 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.50000 0.50000 0.50000 1.00000
Ir3 Ir 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
Cl3 Cl 0.00000 0.00000 0.00000 1.00000
Cl4 Cl 0.00000 0.00000 0.50000 1.00000
Get direct link