BaSrLi2Hg
Alexandria ALEXAlex-ID: agm005004697 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
Li4Hg Sr4Hg3 Ba Li
2022-07-04 11:27:14.494213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005004697).
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 agm005004697
data_agm005004697
_cell_length_a 4.29443
_cell_length_b 5.53500
_cell_length_c 8.24943
_cell_angle_alpha 109.60160
_cell_angle_beta 105.08705
_cell_angle_gamma 90.00000
_cell_volume 177.53165
_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
Ba1 Ba 0.41913 0.41913 0.83826 1.00000
Sr1 Sr 0.18834 0.68834 0.37668 1.00000
Li1 Li 0.70896 0.20896 0.41792 1.00000
Li2 Li 0.04092 0.04092 0.08185 1.00000
Hg1 Hg 0.85479 0.85479 0.70958 1.00000
