LiTi(H4Au)2
Alexandria ALEXAlex-ID: agm007205355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_227_spg1
LiH2Au LiAu3 TiH2 H6Au
2024-01-28 14:43:59.071357
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007205355).
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 agm007205355
data_agm007205355
_cell_length_a 4.94472
_cell_length_b 4.54788
_cell_length_c 6.03565
_cell_angle_alpha 67.88212
_cell_angle_beta 85.18304
_cell_angle_gamma 62.40647
_cell_volume 110.76117
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.50000 0.50000 0.50000 1.00000
H1 H 0.34238 0.94205 0.21735 1.00000
H2 H 0.21750 0.30845 0.68844 1.00000
H3 H 0.65762 0.05795 0.78265 1.00000
H4 H 0.34531 0.48911 0.22053 1.00000
H5 H 0.65469 0.51089 0.77947 1.00000
H6 H 0.21729 0.78861 0.68420 1.00000
H7 H 0.78271 0.21139 0.31580 1.00000
H8 H 0.78250 0.69155 0.31156 1.00000
Au1 Au 0.08198 0.31432 0.28756 1.00000
Au2 Au 0.91802 0.68568 0.71244 1.00000
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