NiSn3Rh
Alexandria ALEXAlex-ID: agm003724136 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4883_spg63
Ni6Sn5 Sn4Rh Sn2Rh
2022-05-04 12:20:45.192079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003724136).
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 agm003724136
data_agm003724136
_cell_length_a 6.29111
_cell_length_b 8.24591
_cell_length_c 8.24591
_cell_angle_alpha 74.58932
_cell_angle_beta 89.97497
_cell_angle_gamma 89.97498
_cell_volume 412.38436
_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
Ni1 Ni 0.74900 0.55350 0.87686 1.00000
Ni2 Ni 0.75100 0.12314 0.44650 1.00000
Ni3 Ni 0.25100 0.44650 0.12314 1.00000
Ni4 Ni 0.24900 0.87686 0.55350 1.00000
Sn1 Sn 0.49670 0.70703 0.04230 1.00000
Sn2 Sn 0.00330 0.95770 0.29297 1.00000
Sn3 Sn 0.50330 0.29297 0.95770 1.00000
Sn4 Sn 0.99670 0.04230 0.70703 1.00000
Sn5 Sn 0.99726 0.29388 0.95780 1.00000
Sn6 Sn 0.50274 0.04220 0.70612 1.00000
Sn7 Sn 0.00274 0.70612 0.04220 1.00000
Sn8 Sn 0.49726 0.95780 0.29388 1.00000
Sn9 Sn 0.49923 0.61952 0.61938 1.00000
Sn10 Sn 0.00077 0.38062 0.38048 1.00000
Sn11 Sn 0.50077 0.38048 0.38062 1.00000
Sn12 Sn 0.99923 0.61938 0.61952 1.00000
Rh1 Rh 0.25000 0.01086 0.98914 1.00000
Rh2 Rh 0.75000 0.98914 0.01086 1.00000
Rh3 Rh 0.25000 0.32698 0.67302 1.00000
Rh4 Rh 0.75000 0.67302 0.32698 1.00000
