Li2Te2H5
Alexandria ALEXAlex-ID: agm007016487 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_207_spg12
LiTeH4 TeH2 Li2Te
2024-01-27 18:34:32.979515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007016487).
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
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# CIF generated by HEAS from Alexandria entry agm007016487
data_agm007016487
_cell_length_a 4.25782
_cell_length_b 5.07050
_cell_length_c 7.99238
_cell_angle_alpha 91.19129
_cell_angle_beta 96.54564
_cell_angle_gamma 116.21949
_cell_volume 153.29557
_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 0.82116 0.25547 0.13478 1.00000
Li2 Li 0.17884 0.74453 0.86522 1.00000
Te1 Te 0.86903 0.14266 0.78263 1.00000
Te2 Te 0.13097 0.85734 0.21737 1.00000
H1 H 0.35094 0.14143 0.79750 1.00000
H2 H 0.64906 0.85857 0.20250 1.00000
H3 H 0.53970 0.57912 0.51799 1.00000
H4 H 0.46030 0.42088 0.48201 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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