U3Si3Ni8
Alexandria ALEXAlex-ID: agm008657403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_40_spg12
U2SiNi3 USi3Ni5 U2(SiNi3)3
2024-06-27 13:35:10.688821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008657403).
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 agm008657403
data_agm008657403
_cell_length_a 7.53526
_cell_length_b 7.53526
_cell_length_c 8.38840
_cell_angle_alpha 55.38872
_cell_angle_beta 55.38872
_cell_angle_gamma 31.25207
_cell_volume 199.54720
_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
U1 U 0.29214 0.29214 0.68187 1.00000
U2 U 0.70786 0.70786 0.31813 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
Si2 Si 0.66457 0.66457 0.99360 1.00000
Si3 Si 0.33543 0.33543 0.00640 1.00000
Ni1 Ni 0.12150 0.12150 0.59908 1.00000
Ni2 Ni 0.87850 0.87850 0.40092 1.00000
Ni3 Ni 0.86573 0.86573 0.84518 1.00000
Ni4 Ni 0.13427 0.13427 0.15482 1.00000
Ni5 Ni 0.50360 0.50360 0.32780 1.00000
Ni6 Ni 0.49640 0.49640 0.67220 1.00000
Ni7 Ni 0.34950 0.34950 0.27151 1.00000
Ni8 Ni 0.65050 0.65050 0.72849 1.00000
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