TaH8Au3
Alexandria ALEXAlex-ID: agm007200013 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_291_spg8
H6Au TaH2 Au
2024-01-28 18:00:20.400016
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007200013).
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 agm007200013
data_agm007200013
_cell_length_a 3.20479
_cell_length_b 6.45884
_cell_length_c 6.47998
_cell_angle_alpha 119.74854
_cell_angle_beta 104.27594
_cell_angle_gamma 75.75099
_cell_volume 111.62945
_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
Ta1 Ta 0.00000 0.50000 0.50000 1.00000
H1 H 0.88691 0.31818 0.09076 1.00000
H2 H 0.51383 0.32932 0.35772 1.00000
H3 H 0.11309 0.68182 0.90924 1.00000
H4 H 0.81438 0.75720 0.38600 1.00000
H5 H 0.18562 0.24280 0.61400 1.00000
H6 H 0.90952 0.86731 0.68380 1.00000
H7 H 0.09048 0.13269 0.31620 1.00000
H8 H 0.48617 0.67068 0.64228 1.00000
Au1 Au 0.73094 0.32689 0.79174 1.00000
Au2 Au 0.26906 0.67311 0.20826 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
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