Tl2H5Pt2
Alexandria ALEXAlex-ID: agm006407548 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1_spg46
TlH2Pt Tl2H6Pt H3Pt
2025-05-27 00:15:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006407548).
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 agm006407548
data_agm006407548
_cell_length_a 8.25682
_cell_length_b 8.25682
_cell_length_c 8.25682
_cell_angle_alpha 141.14904
_cell_angle_beta 140.48356
_cell_angle_gamma 56.61773
_cell_volume 222.87422
_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 0.09083 0.61517 0.43658 1.00000
Tl2 Tl 0.90917 0.34575 0.52434 1.00000
Tl3 Tl 0.67859 0.11517 0.52434 1.00000
Tl4 Tl 0.32141 0.84575 0.43658 1.00000
H1 H 0.72178 0.25948 0.98806 1.00000
H2 H 0.27822 0.26628 0.53771 1.00000
H3 H 0.77143 0.75948 0.53771 1.00000
H4 H 0.22857 0.76628 0.98806 1.00000
H5 H 0.16227 0.11130 0.02275 1.00000
H6 H 0.83773 0.86048 0.94903 1.00000
H7 H 0.58855 0.61130 0.94903 1.00000
H8 H 0.41145 0.36048 0.02275 1.00000
H9 H 0.49806 0.98416 0.98223 1.00000
H10 H 0.50194 0.48416 0.48610 1.00000
Pt1 Pt 0.00000 0.98495 0.98495 1.00000
Pt2 Pt 0.50000 0.48495 0.98495 1.00000
Pt3 Pt 0.29618 0.23533 0.03151 1.00000
Pt4 Pt 0.70382 0.73533 0.93915 1.00000
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