BeHgGe
Alexandria ALEXAlex-ID: agm003043881 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_317_spg166
Be Hg Ge
2015-04-26 21:50:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003043881).
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 agm003043881
data_agm003043881
_cell_length_a 3.60277
_cell_length_b 11.67080
_cell_length_c 3.60294
_cell_angle_alpha 72.57443
_cell_angle_beta 60.02888
_cell_angle_gamma 72.53746
_cell_volume 123.12000
_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
Be1 Be 0.79332 0.00608 0.09212 1.00000
Be2 Be 0.45762 0.00962 0.75642 1.00000
Ge1 Ge 0.04126 0.13819 0.34058 1.00000
Ge2 Ge 0.21007 0.87734 0.50815 1.00000
Hg1 Hg 0.71158 0.62960 0.00138 1.00000
Hg2 Hg 0.53396 0.38651 0.82507 1.00000
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