Zr4SnP
Alexandria ALEXAlex-ID: agm003744779 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
Zr6Sn2P Zr5SnP2 Zr3P
2022-04-18 21:13:05.779431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003744779).
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 agm003744779
data_agm003744779
_cell_length_a 5.53672
_cell_length_b 7.83843
_cell_length_c 7.34099
_cell_angle_alpha 113.77655
_cell_angle_beta 101.07311
_cell_angle_gamma 110.28011
_cell_volume 252.22177
_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
Zr1 Zr 0.05755 0.20097 0.82599 1.00000
Zr2 Zr 0.77949 0.72107 0.63873 1.00000
Zr3 Zr 0.26844 0.62502 0.82599 1.00000
Zr4 Zr 0.35923 0.91765 0.63873 1.00000
Zr5 Zr 0.64077 0.08235 0.36127 1.00000
Zr6 Zr 0.73156 0.37498 0.17401 1.00000
Zr7 Zr 0.22051 0.27893 0.36127 1.00000
Zr8 Zr 0.94245 0.79903 0.17401 1.00000
Sn1 Sn 0.36787 0.61787 0.23573 1.00000
Sn2 Sn 0.63213 0.38213 0.76427 1.00000
P1 P 0.25481 0.00481 0.00962 1.00000
P2 P 0.74519 0.99519 0.99038 1.00000
Get direct link