InHg4Br
Alexandria ALEXAlex-ID: agm005751031 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2758_spg2
Hg InBr
2023-07-27 08:53:59.696251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751031).
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 agm005751031
data_agm005751031
_cell_length_a 6.60675
_cell_length_b 6.61088
_cell_length_c 5.75774
_cell_angle_alpha 67.92366
_cell_angle_beta 71.03540
_cell_angle_gamma 109.20077
_cell_volume 188.96452
_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 0.99851 0.50312 0.50129 1.00000
Hg1 Hg 0.26482 0.16035 0.51607 1.00000
Hg2 Hg 0.73114 0.84493 0.48650 1.00000
Hg3 Hg 0.80713 0.62214 0.05128 1.00000
Hg4 Hg 0.18924 0.38301 0.95151 1.00000
Br1 Br 0.49800 0.00274 0.00114 1.00000
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