In4H3Cl4
Alexandria ALEXAlex-ID: agm005706186 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_163_spg8
InHCl InCl
2023-06-29 20:47:48.343281
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706186).
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 agm005706186
data_agm005706186
_cell_length_a 3.84870
_cell_length_b 6.17584
_cell_length_c 15.38520
_cell_angle_alpha 52.40101
_cell_angle_beta 90.22061
_cell_angle_gamma 108.62476
_cell_volume 265.52974
_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
In1 In 0.85496 0.71829 0.74849 1.00000
In2 In 0.83836 0.67254 0.23952 1.00000
In3 In 0.86619 0.73175 0.51607 1.00000
In4 In 0.84994 0.70120 0.00988 1.00000
H1 H 0.33744 0.67137 0.22077 1.00000
H2 H 0.36338 0.73483 0.73243 1.00000
H3 H 0.34722 0.69504 0.03037 1.00000
Cl1 Cl 0.60208 0.19777 0.46086 1.00000
Cl2 Cl 0.64590 0.30603 0.97784 1.00000
Cl3 Cl 0.06149 0.12185 0.78587 1.00000
Cl4 Cl 0.03152 0.04630 0.27789 1.00000
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