Sn3P4Pt7
Alexandria ALEXAlex-ID: agm009803293 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_51_spg12
SnPt3 P2Pt SnPt
2024-03-31 17:24:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009803293).
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 agm009803293
data_agm009803293
_cell_length_a 3.43033
_cell_length_b 8.59334
_cell_length_c 10.00499
_cell_angle_alpha 99.17357
_cell_angle_beta 96.06854
_cell_angle_gamma 112.71934
_cell_volume 263.99255
_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
Sn1 Sn 0.77917 0.25677 0.15009 1.00000
Sn2 Sn 0.22083 0.74323 0.84991 1.00000
Sn3 Sn 0.50000 0.00000 0.50000 1.00000
P1 P 0.36333 0.58172 0.37366 1.00000
P2 P 0.63667 0.41828 0.62634 1.00000
P3 P 0.11404 0.19950 0.85254 1.00000
P4 P 0.88596 0.80050 0.14746 1.00000
Pt1 Pt 0.80436 0.40235 0.85850 1.00000
Pt2 Pt 0.13228 0.07406 0.29060 1.00000
Pt3 Pt 0.99008 0.32821 0.46967 1.00000
Pt4 Pt 0.19564 0.59765 0.14150 1.00000
Pt5 Pt 0.00992 0.67179 0.53033 1.00000
Pt6 Pt 0.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.86772 0.92594 0.70940 1.00000
Get direct link