LiH8Au2Se
Alexandria ALEXAlex-ID: agm007208934 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1163_spg2
LiH7Se2 H6Au Li2Se Au
2024-01-28 14:39:41.559026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007208934).
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 agm007208934
data_agm007208934
_cell_length_a 3.57998
_cell_length_b 4.72763
_cell_length_c 9.73413
_cell_angle_alpha 65.31540
_cell_angle_beta 69.08250
_cell_angle_gamma 89.96097
_cell_volume 137.67379
_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
H1 H 0.84382 0.65175 0.64939 1.00000
H2 H 0.82603 0.10365 0.66840 1.00000
H3 H 0.15618 0.34825 0.35061 1.00000
H4 H 0.18891 0.73930 0.80681 1.00000
H5 H 0.81109 0.26070 0.19319 1.00000
H6 H 0.52459 0.26983 0.97506 1.00000
H7 H 0.47541 0.73017 0.02494 1.00000
H8 H 0.17397 0.89635 0.33160 1.00000
Au1 Au 0.67269 0.71505 0.82332 1.00000
Au2 Au 0.32731 0.28495 0.17668 1.00000
Se1 Se 0.00000 0.50000 0.50000 1.00000
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