Sr2Li3SiNi12
Alexandria ALEXAlex-ID: agm004496151 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_96_spg166
Li5Ni6 Li6Si7Ni16 Sr2Li2Ni15 Sr2Ni3
2022-06-21 15:38:05.483286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004496151).
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 agm004496151
data_agm004496151
_cell_length_a 9.35482
_cell_length_b 9.35482
_cell_length_c 9.35482
_cell_angle_alpha 37.01791
_cell_angle_beta 37.01791
_cell_angle_gamma 37.01791
_cell_volume 265.90221
_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
Sr1 Sr 0.65223 0.65223 0.65223 1.00000
Sr2 Sr 0.34777 0.34777 0.34777 1.00000
Li1 Li 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.00000 1.00000
Li3 Li 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.41761 0.41761 0.81192 1.00000
Ni2 Ni 0.93580 0.93580 0.34361 1.00000
Ni3 Ni 0.34361 0.93580 0.93580 1.00000
Ni4 Ni 0.81192 0.41761 0.41761 1.00000
Ni5 Ni 0.93580 0.34361 0.93580 1.00000
Ni6 Ni 0.41761 0.81192 0.41761 1.00000
Ni7 Ni 0.58239 0.58239 0.18808 1.00000
Ni8 Ni 0.06420 0.06420 0.65639 1.00000
Ni9 Ni 0.65639 0.06420 0.06420 1.00000
Ni10 Ni 0.18808 0.58239 0.58239 1.00000
Ni11 Ni 0.06420 0.65639 0.06420 1.00000
Ni12 Ni 0.58239 0.18808 0.58239 1.00000
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