Cs2Tl4Pt3
Alexandria ALEXAlex-ID: agm005663787 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_857_spg72
CsTlPt CsTl5Pt3
2023-06-26 22:35:41.741542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663787).
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 agm005663787
data_agm005663787
_cell_length_a 7.14753
_cell_length_b 9.67136
_cell_length_c 9.67136
_cell_angle_alpha 83.56639
_cell_angle_beta 68.31395
_cell_angle_gamma 68.31394
_cell_volume 577.02630
_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 0.79281 0.63312 0.36688 1.00000
Cs2 Cs 0.70719 0.13312 0.86688 1.00000
Cs3 Cs 0.29281 0.86688 0.13312 1.00000
Cs4 Cs 0.20719 0.36688 0.63312 1.00000
Tl1 Tl 0.34951 0.95002 0.72485 1.00000
Tl2 Tl 0.84951 0.22485 0.45002 1.00000
Tl3 Tl 0.52439 0.54998 0.77515 1.00000
Tl4 Tl 0.65049 0.04998 0.27515 1.00000
Tl5 Tl 0.15049 0.77515 0.54998 1.00000
Tl6 Tl 0.47561 0.45002 0.22485 1.00000
Tl7 Tl 0.02439 0.27515 0.04998 1.00000
Tl8 Tl 0.97561 0.72485 0.95002 1.00000
Pt1 Pt 0.25000 0.46392 0.03608 1.00000
Pt2 Pt 0.25000 0.03608 0.46392 1.00000
Pt3 Pt 0.75000 0.96392 0.53608 1.00000
Pt4 Pt 0.75000 0.75000 0.75000 1.00000
Pt5 Pt 0.75000 0.53608 0.96392 1.00000
Pt6 Pt 0.25000 0.25000 0.25000 1.00000
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