LiNi2P
Alexandria ALEXAlex-ID: agm067880879 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7414_spg62
Li(Ni2P)2 Li2(Ni3P)3 Li3P
2024-11-15 06:58:56.578416
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067880879).
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 agm067880879
data_agm067880879
_cell_length_a 4.65519
_cell_length_b 6.39291
_cell_length_c 13.00666
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 387.08045
_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 0.47117 0.25000 0.13764 1.00000
Li2 Li 0.97117 0.75000 0.36236 1.00000
Li3 Li 0.52883 0.75000 0.86236 1.00000
Li4 Li 0.02883 0.25000 0.63764 1.00000
Li5 Li 0.76426 0.25000 0.38924 1.00000
Li6 Li 0.26426 0.75000 0.11076 1.00000
Li7 Li 0.23574 0.75000 0.61076 1.00000
Li8 Li 0.73574 0.25000 0.88924 1.00000
Ni1 Ni 0.97348 0.05613 0.21097 1.00000
Ni2 Ni 0.47348 0.94387 0.28903 1.00000
Ni3 Ni 0.02652 0.55613 0.78903 1.00000
Ni4 Ni 0.52652 0.44387 0.71097 1.00000
Ni5 Ni 0.02652 0.94387 0.78903 1.00000
Ni6 Ni 0.52652 0.05613 0.71097 1.00000
Ni7 Ni 0.97348 0.44387 0.21097 1.00000
Ni8 Ni 0.47348 0.55613 0.28903 1.00000
Ni9 Ni 0.76132 0.55592 0.04039 1.00000
Ni10 Ni 0.26132 0.44408 0.45961 1.00000
Ni11 Ni 0.23868 0.05592 0.95961 1.00000
Ni12 Ni 0.73868 0.94408 0.54039 1.00000
Ni13 Ni 0.23868 0.44408 0.95961 1.00000
Ni14 Ni 0.73868 0.55592 0.54039 1.00000
Ni15 Ni 0.76132 0.94408 0.04039 1.00000
Ni16 Ni 0.26132 0.05592 0.45961 1.00000
P1 P 0.25241 0.25000 0.31438 1.00000
P2 P 0.75241 0.75000 0.18562 1.00000
P3 P 0.74759 0.75000 0.68562 1.00000
P4 P 0.24759 0.25000 0.81438 1.00000
P5 P 0.96839 0.25000 0.06649 1.00000
P6 P 0.46839 0.75000 0.43351 1.00000
P7 P 0.03161 0.75000 0.93351 1.00000
P8 P 0.53161 0.25000 0.56649 1.00000
