Li2Zn(HCl2)2
Alexandria ALEXAlex-ID: agm005287876 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_804_spg19
Zn(HCl)2 LiCl
2024-10-04 21:23:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287876).
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 agm005287876
data_agm005287876
_cell_length_a 6.67464
_cell_length_b 8.25263
_cell_length_c 13.54375
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 746.03510
_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 0.17739 0.24359 0.33281 1.00000
Li2 Li 0.32261 0.75641 0.83281 1.00000
Li3 Li 0.82261 0.74359 0.16719 1.00000
Li4 Li 0.67739 0.25641 0.66719 1.00000
Li5 Li 0.30481 0.25196 0.83342 1.00000
Li6 Li 0.19519 0.74804 0.33342 1.00000
Li7 Li 0.69519 0.75196 0.66658 1.00000
Li8 Li 0.80481 0.24804 0.16658 1.00000
Zn1 Zn 0.31912 0.50900 0.08251 1.00000
Zn2 Zn 0.18088 0.49100 0.58251 1.00000
Zn3 Zn 0.68088 0.00900 0.41749 1.00000
Zn4 Zn 0.81912 0.99100 0.91749 1.00000
H1 H 0.50020 0.14324 0.21758 1.00000
H2 H 0.99980 0.85676 0.71758 1.00000
H3 H 0.49980 0.64324 0.28242 1.00000
H4 H 0.00020 0.35676 0.78242 1.00000
H5 H 0.05513 0.01331 0.23646 1.00000
H6 H 0.44487 0.98669 0.73646 1.00000
H7 H 0.94487 0.51331 0.26354 1.00000
H8 H 0.55513 0.48669 0.76354 1.00000
Cl1 Cl 0.17219 0.28388 0.15170 1.00000
Cl2 Cl 0.32781 0.71612 0.65170 1.00000
Cl3 Cl 0.82781 0.78388 0.34830 1.00000
Cl4 Cl 0.67219 0.21612 0.84830 1.00000
Cl5 Cl 0.18892 0.73977 0.15122 1.00000
Cl6 Cl 0.31108 0.26023 0.65122 1.00000
Cl7 Cl 0.81108 0.23977 0.34878 1.00000
Cl8 Cl 0.68892 0.76023 0.84878 1.00000
Cl9 Cl 0.33843 0.99857 0.39774 1.00000
Cl10 Cl 0.16157 0.00143 0.89774 1.00000
Cl11 Cl 0.66157 0.49857 0.10226 1.00000
Cl12 Cl 0.83843 0.50143 0.60226 1.00000
Cl13 Cl 0.26695 0.49174 0.41777 1.00000
Cl14 Cl 0.23305 0.50826 0.91777 1.00000
Cl15 Cl 0.73305 0.99174 0.08223 1.00000
Cl16 Cl 0.76695 0.00826 0.58223 1.00000
