Cs2PtI
Alexandria ALEXAlex-ID: agm005492977 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7130_spg1
Cs2Pt3 Cs CsI
2023-03-18 23:16:49.615042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492977).
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
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# CIF generated by HEAS from Alexandria entry agm005492977
data_agm005492977
_cell_length_a 9.92078
_cell_length_b 9.92078
_cell_length_c 9.92078
_cell_angle_alpha 134.89527
_cell_angle_beta 134.89527
_cell_angle_gamma 65.69297
_cell_volume 482.65323
_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 0.03903 0.62500 0.91403 1.00000
Cs2 Cs 0.71097 0.12500 0.08597 1.00000
Cs3 Cs 0.37500 0.28903 0.41403 1.00000
Cs4 Cs 0.87500 0.96097 0.58597 1.00000
Pt1 Pt 0.75000 0.25000 0.50000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
I1 I 0.25000 0.75000 0.50000 1.00000
I2 I 0.50000 0.50000 0.00000 1.00000
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