Tl2Pt(BrCl)2
Alexandria ALEXAlex-ID: agm017478425 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_257_spg12
Tl2PtCl6 Tl2PtBr6 TlBr Pt
2024-12-08 05:48:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017478425).
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 agm017478425
data_agm017478425
_cell_length_a 6.66342
_cell_length_b 6.66342
_cell_length_c 6.94594
_cell_angle_alpha 65.39034
_cell_angle_beta 114.60966
_cell_angle_gamma 82.44117
_cell_volume 236.93986
_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
Tl1 Tl 0.75037 0.75037 0.50000 1.00000
Tl2 Tl 0.24963 0.24963 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.24548 0.24548 0.00000 1.00000
Br2 Br 0.75452 0.75452 0.00000 1.00000
Cl1 Cl 0.21644 0.78356 0.43125 1.00000
Cl2 Cl 0.78356 0.21644 0.56875 1.00000
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