Cs5Pt2Br
Alexandria ALEXAlex-ID: agm005909082 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
Cs2Pt3 Cs CsBr
2023-09-06 20:32:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909082).
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 agm005909082
data_agm005909082
_cell_length_a 9.24930
_cell_length_b 9.24930
_cell_length_c 10.45275
_cell_angle_alpha 116.25925
_cell_angle_beta 116.25925
_cell_angle_gamma 90.00001
_cell_volume 697.55776
_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 0.53975 0.69572 0.73547 1.00000
Cs2 Cs 0.80428 0.96025 0.26453 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Cs4 Cs 0.50000 0.50000 0.00000 1.00000
Cs5 Cs 0.19572 0.03975 0.73547 1.00000
Cs6 Cs 0.69572 0.19572 0.73547 1.00000
Cs7 Cs 0.03975 0.53975 0.73547 1.00000
Cs8 Cs 0.30428 0.80428 0.26453 1.00000
Cs9 Cs 0.96025 0.46025 0.26453 1.00000
Cs10 Cs 0.46025 0.30428 0.26453 1.00000
Pt1 Pt 0.10941 0.39059 0.00000 1.00000
Pt2 Pt 0.60941 0.10941 1.00000 1.00000
Pt3 Pt 0.39059 0.89059 0.00000 1.00000
Pt4 Pt 0.89059 0.60941 1.00000 1.00000
Br1 Br 0.75000 0.75000 0.50000 1.00000
Br2 Br 0.25000 0.25000 0.50000 1.00000
Get direct link