TlPt5
Alexandria ALEXAlex-ID: agm005459924 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_2_spg8
Tl2Pt3 Pt
2023-03-21 18:42:10.520875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459924).
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 agm005459924
data_agm005459924
_cell_length_a 5.80151
_cell_length_b 5.80151
_cell_length_c 6.67820
_cell_angle_alpha 72.55295
_cell_angle_beta 72.55295
_cell_angle_gamma 28.34994
_cell_volume 101.50241
_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 0.30553 0.30553 0.88892 1.00000
Pt1 Pt 0.98107 0.98107 0.06450 1.00000
Pt2 Pt 0.30557 0.30557 0.38886 1.00000
Pt3 Pt 0.63008 0.63008 0.71322 1.00000
Pt4 Pt 0.64367 0.64367 0.23379 1.00000
Pt5 Pt 0.96740 0.96740 0.54405 1.00000
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