CrHgSbCl6
Alexandria ALEXAlex-ID: agm005100159 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_77_spg149
CrCl3 Hg SbCl3
2022-08-12 13:18:47.298549
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100159).
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 agm005100159
data_agm005100159
_cell_length_a 6.55136
_cell_length_b 6.55115
_cell_length_c 9.26532
_cell_angle_alpha 90.00256
_cell_angle_beta 90.00041
_cell_angle_gamma 60.00168
_cell_volume 344.38808
_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
Cr1 Cr 0.66666 0.66667 0.49999 1.00000
Hg1 Hg 0.99987 0.00000 0.00001 1.00000
Sb1 Sb 0.33332 0.33334 0.49999 1.00000
Cl1 Cl 0.96375 0.37953 0.34918 1.00000
Cl2 Cl 0.37948 0.96381 0.65079 1.00000
Cl3 Cl 0.65668 0.37950 0.65079 1.00000
Cl4 Cl 0.96378 0.65673 0.65080 1.00000
Cl5 Cl 0.37953 0.65670 0.34918 1.00000
Cl6 Cl 0.65669 0.96378 0.34918 1.00000
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