HgW2
Alexandria ALEXAlex-ID: agm005509344 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2191_spg141
W Hg
2023-05-05 02:02:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509344).
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 agm005509344
data_agm005509344
_cell_length_a 4.24418
_cell_length_b 4.24418
_cell_length_c 12.06801
_cell_angle_alpha 100.12779
_cell_angle_beta 100.12779
_cell_angle_gamma 90.00000
_cell_volume 210.55288
_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
Hg1 Hg 0.08315 0.08315 0.16629 1.00000
Hg2 Hg 0.91685 0.91685 0.83371 1.00000
Hg3 Hg 0.33315 0.83315 0.66629 1.00000
Hg4 Hg 0.16685 0.66685 0.33371 1.00000
W1 W 0.25046 0.25046 0.50093 1.00000
W2 W 0.74954 0.74954 0.49907 1.00000
W3 W 0.50046 0.00046 0.00093 1.00000
W4 W 0.99954 0.49954 0.99907 1.00000
W5 W 0.42672 0.42672 0.85344 1.00000
W6 W 0.57328 0.57328 0.14656 1.00000
W7 W 0.67672 0.17672 0.35344 1.00000
W8 W 0.82328 0.32328 0.64656 1.00000
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