La2SiPt6
Alexandria ALEXAlex-ID: agm005751507 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_724_spg12
LaPt3 LaSiPt3
2023-07-09 14:04:29.444078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751507).
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 agm005751507
data_agm005751507
_cell_length_a 5.75281
_cell_length_b 5.73411
_cell_length_c 6.21137
_cell_angle_alpha 77.51702
_cell_angle_beta 90.00000
_cell_angle_gamma 120.10796
_cell_volume 171.62965
_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
La1 La 0.63970 0.27940 0.15841 1.00000
La2 La 0.36030 0.72060 0.84159 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.88239 0.27137 0.69401 1.00000
Pt2 Pt 0.88076 0.76153 0.69973 1.00000
Pt3 Pt 0.38898 0.27137 0.69401 1.00000
Pt4 Pt 0.11761 0.72863 0.30599 1.00000
Pt5 Pt 0.11924 0.23847 0.30027 1.00000
Pt6 Pt 0.61102 0.72863 0.30599 1.00000
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