Li3Pr2Ni12Sn
Alexandria ALEXAlex-ID: agm004499403 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_96_spg166
Li7Sn2 Li2Pr2Ni15 PrNi5 Li2NiSn
2022-06-20 07:36:45.402266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004499403).
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 agm004499403
data_agm004499403
_cell_length_a 9.53371
_cell_length_b 9.53371
_cell_length_c 9.53371
_cell_angle_alpha 36.59829
_cell_angle_beta 36.59829
_cell_angle_gamma 36.59829
_cell_volume 275.78801
_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
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
Pr1 Pr 0.63738 0.63738 0.63738 1.00000
Pr2 Pr 0.36262 0.36262 0.36262 1.00000
Ni1 Ni 0.41371 0.41371 0.80108 1.00000
Ni2 Ni 0.87404 0.87404 0.45507 1.00000
Ni3 Ni 0.45507 0.87404 0.87404 1.00000
Ni4 Ni 0.80108 0.41371 0.41371 1.00000
Ni5 Ni 0.87404 0.45507 0.87404 1.00000
Ni6 Ni 0.41371 0.80108 0.41371 1.00000
Ni7 Ni 0.58629 0.58629 0.19892 1.00000
Ni8 Ni 0.12596 0.12596 0.54493 1.00000
Ni9 Ni 0.54493 0.12596 0.12596 1.00000
Ni10 Ni 0.19892 0.58629 0.58629 1.00000
Ni11 Ni 0.12596 0.54493 0.12596 1.00000
Ni12 Ni 0.58629 0.19892 0.58629 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
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