CsTlPt
Alexandria ALEXAlex-ID: agm069979233 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_33_spg12
CsTlPt
2025-01-20 16:08:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069979233).
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 agm069979233
data_agm069979233
_cell_length_a 6.85551
_cell_length_b 6.85551
_cell_length_c 8.74106
_cell_angle_alpha 54.21705
_cell_angle_beta 125.78295
_cell_angle_gamma 140.69448
_cell_volume 203.99596
_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 0.07785 0.92215 0.34233 1.00000
Cs2 Cs 0.92215 0.07785 0.65767 1.00000
Tl1 Tl 0.71554 0.28446 0.82560 1.00000
Tl2 Tl 0.28446 0.71554 0.17440 1.00000
Pt1 Pt 0.38053 0.61947 0.95058 1.00000
Pt2 Pt 0.61947 0.38053 0.04942 1.00000
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