Li4H3Cl4
Alexandria ALEXAlex-ID: agm005706135 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_171_spg1
LiHCl LiCl
2023-06-29 20:34:02.065997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706135).
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 agm005706135
data_agm005706135
_cell_length_a 4.15423
_cell_length_b 4.10015
_cell_length_c 13.51319
_cell_angle_alpha 91.41750
_cell_angle_beta 90.40512
_cell_angle_gamma 119.75935
_cell_volume 199.70345
_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 0.69577 0.37814 0.50208 1.00000
Li2 Li 0.64932 0.32250 0.09845 1.00000
Li3 Li 0.04654 0.06606 0.66949 1.00000
Li4 Li 0.00281 0.01170 0.26368 1.00000
H1 H 0.32564 0.66712 0.17246 1.00000
H2 H 0.43192 0.69599 0.87243 1.00000
H3 H 0.25271 0.67730 0.89026 1.00000
Cl1 Cl 0.70940 0.39875 0.68931 1.00000
Cl2 Cl 0.66762 0.34535 0.28362 1.00000
Cl3 Cl 0.03151 0.04535 0.48668 1.00000
Cl4 Cl 0.98526 0.98872 0.07153 1.00000
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