Tl6PtO2
Alexandria ALEXAlex-ID: agm005678115 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1923_spg12
Tl2Pt Tl2O
2023-07-09 00:37:43.096302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678115).
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 agm005678115
data_agm005678115
_cell_length_a 3.68024
_cell_length_b 7.36864
_cell_length_c 8.75869
_cell_angle_alpha 100.85910
_cell_angle_beta 102.12769
_cell_angle_gamma 90.00000
_cell_volume 227.86835
_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 0.33201 0.89109 0.66401 1.00000
Tl2 Tl 0.01565 0.29304 0.03129 1.00000
Tl3 Tl 0.67408 0.60050 0.34817 1.00000
Tl4 Tl 0.98435 0.70696 0.96871 1.00000
Tl5 Tl 0.66799 0.10891 0.33599 1.00000
Tl6 Tl 0.32592 0.39950 0.65183 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
O1 O 0.83564 0.64635 0.67127 1.00000
O2 O 0.16436 0.35365 0.32873 1.00000
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