UVHgI6
Alexandria ALEXAlex-ID: agm005100254 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_77_spg149
UVI6 Hg
2022-12-18 23:29:40.988737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100254).
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 agm005100254
data_agm005100254
_cell_length_a 7.33623
_cell_length_b 7.33647
_cell_length_c 9.90295
_cell_angle_alpha 89.98326
_cell_angle_beta 89.97333
_cell_angle_gamma 59.99872
_cell_volume 461.58304
_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
U1 U 0.66657 0.66674 0.49996 1.00000
V1 V 0.33336 0.33333 0.49998 1.00000
Hg1 Hg 0.99992 0.99997 0.00001 1.00000
I1 I 0.02181 0.33727 0.32820 1.00000
I2 I 0.33715 0.02171 0.67190 1.00000
I3 I 0.64093 0.33727 0.67183 1.00000
I4 I 0.02157 0.64098 0.67181 1.00000
I5 I 0.33731 0.64102 0.32813 1.00000
I6 I 0.64113 0.02176 0.32810 1.00000
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