Cs3PtAu
Alexandria ALEXAlex-ID: agm005774616 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7282_spg12
Cs6Au Cs2Au Cs2Pt3
2023-07-03 16:56:25.145023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774616).
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 agm005774616
data_agm005774616
_cell_length_a 5.87942
_cell_length_b 10.91167
_cell_length_c 14.53907
_cell_angle_alpha 104.83841
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 901.63899
_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
Cs1 Cs 0.99942 0.99912 0.35765 1.00000
Cs2 Cs 0.00058 0.00088 0.64235 1.00000
Cs3 Cs 0.49942 0.00088 0.14235 1.00000
Cs4 Cs 0.50058 0.99912 0.85765 1.00000
Cs5 Cs 0.49960 0.26518 0.41587 1.00000
Cs6 Cs 0.50040 0.73482 0.58413 1.00000
Cs7 Cs 0.99960 0.73482 0.08413 1.00000
Cs8 Cs 0.00040 0.26518 0.91587 1.00000
Cs9 Cs 0.00057 0.37589 0.64300 1.00000
Cs10 Cs 0.99943 0.62411 0.35700 1.00000
Cs11 Cs 0.50057 0.62411 0.85700 1.00000
Cs12 Cs 0.49943 0.37589 0.14300 1.00000
Pt1 Pt 0.50045 0.09377 0.57551 1.00000
Pt2 Pt 0.49955 0.90623 0.42449 1.00000
Pt3 Pt 0.00045 0.90623 0.92449 1.00000
Pt4 Pt 0.99955 0.09377 0.07551 1.00000
Au1 Au 0.99937 0.26390 0.24666 1.00000
Au2 Au 0.00063 0.73610 0.75334 1.00000
Au3 Au 0.49937 0.73610 0.25334 1.00000
Au4 Au 0.50063 0.26390 0.74666 1.00000
