TlH4Au
Alexandria ALEXAlex-ID: agm007357915 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1321_spg12
H6Au TlH3 Au
2024-02-09 06:52:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357915).
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 agm007357915
data_agm007357915
_cell_length_a 4.83855
_cell_length_b 4.85809
_cell_length_c 7.60837
_cell_angle_alpha 90.41713
_cell_angle_beta 90.60687
_cell_angle_gamma 103.44303
_cell_volume 173.92465
_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 0.25057 0.75007 0.75022 1.00000
Tl2 Tl 0.74943 0.24993 0.24978 1.00000
H1 H 0.09144 0.89862 0.40355 1.00000
H2 H 0.59203 0.39940 0.90317 1.00000
H3 H 0.10444 0.91188 0.09645 1.00000
H4 H 0.39488 0.58746 0.40401 1.00000
H5 H 0.90856 0.10138 0.59645 1.00000
H6 H 0.40797 0.60060 0.09683 1.00000
H7 H 0.89556 0.08812 0.90355 1.00000
H8 H 0.60512 0.41254 0.59599 1.00000
Au1 Au 0.24967 0.74959 0.25020 1.00000
Au2 Au 0.75033 0.25041 0.74980 1.00000
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