Th(NiSn3)4
Alexandria ALEXAlex-ID: agm006010935 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_14_spg204
NiSn2 ThSn3 Sn
2023-08-07 16:40:21.946289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010935).
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 agm006010935
data_agm006010935
_cell_length_a 7.99836
_cell_length_b 7.99835
_cell_length_c 7.99834
_cell_angle_alpha 109.47119
_cell_angle_beta 109.47129
_cell_angle_gamma 109.47132
_cell_volume 393.89299
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.50000 0.00000 1.00000
Ni2 Ni 0.50000 0.00000 0.00000 1.00000
Ni3 Ni 0.50000 0.50000 0.50000 1.00000
Ni4 Ni 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.83334 0.33677 0.17011 1.00000
Sn2 Sn 0.33677 0.50343 0.16666 1.00000
Sn3 Sn 0.82989 0.16666 0.66323 1.00000
Sn4 Sn 0.33677 0.17011 0.83334 1.00000
Sn5 Sn 0.17011 0.83334 0.33677 1.00000
Sn6 Sn 0.66323 0.49657 0.83334 1.00000
Sn7 Sn 0.50343 0.16666 0.33677 1.00000
Sn8 Sn 0.49657 0.83334 0.66323 1.00000
Sn9 Sn 0.66323 0.82989 0.16666 1.00000
Sn10 Sn 0.83334 0.66323 0.49657 1.00000
Sn11 Sn 0.16666 0.33677 0.50343 1.00000
Sn12 Sn 0.16666 0.66323 0.82989 1.00000
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