Ni4SnP
Alexandria ALEXAlex-ID: agm005890585 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
Ni10Sn5P3 Ni10SnP3 Ni6Sn5
2023-07-31 03:03:44.471104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890585).
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 agm005890585
data_agm005890585
_cell_length_a 5.02536
_cell_length_b 5.85011
_cell_length_c 5.85011
_cell_angle_alpha 110.31397
_cell_angle_beta 97.99048
_cell_angle_gamma 97.99048
_cell_volume 156.44325
_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
Ni1 Ni 0.85401 0.60837 0.83393 1.00000
Ni2 Ni 0.09016 0.95068 0.28628 1.00000
Ni3 Ni 0.64599 0.16607 0.39163 1.00000
Ni4 Ni 0.40984 0.71372 0.04932 1.00000
Ni5 Ni 0.59016 0.28628 0.95068 1.00000
Ni6 Ni 0.35401 0.83393 0.60837 1.00000
Ni7 Ni 0.90984 0.04932 0.71372 1.00000
Ni8 Ni 0.14599 0.39163 0.16607 1.00000
Sn1 Sn 0.75000 0.62132 0.37868 1.00000
Sn2 Sn 0.25000 0.37868 0.62132 1.00000
P1 P 0.25000 0.02037 0.97963 1.00000
P2 P 0.75000 0.97963 0.02037 1.00000
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