ZnH7Cl2
Alexandria ALEXAlex-ID: agm006201983 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1112_spg12
Zn(HCl)2 H2
2024-02-06 16:14:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201983).
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 agm006201983
data_agm006201983
_cell_length_a 9.17576
_cell_length_b 6.69262
_cell_length_c 6.00515
_cell_angle_alpha 127.03494
_cell_angle_beta 32.31697
_cell_angle_gamma 113.03230
_cell_volume 151.26726
_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
H1 H 0.13488 0.75322 0.15548 1.00000
H2 H 0.71479 0.25657 0.01380 1.00000
H3 H 0.04917 0.72636 0.15183 1.00000
H4 H 0.12227 0.24993 0.11249 1.00000
H5 H 0.58100 0.80008 0.25300 1.00000
H6 H 0.55661 0.28034 0.22400 1.00000
H7 H 0.10346 0.16904 0.74372 1.00000
Zn1 Zn 0.85335 0.27421 0.31190 1.00000
Cl1 Cl 0.63968 0.92574 0.45509 1.00000
Cl2 Cl 0.47719 0.62190 0.04685 1.00000
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