Mg2Hg2Sb2H
Alexandria ALEXAlex-ID: agm006511706 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_553_spg69
Mg3Sb2 Sb Hg SbH3
2024-03-01 18:31:04.882394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006511706).
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 agm006511706
data_agm006511706
_cell_length_a 8.00695
_cell_length_b 7.99043
_cell_length_c 4.69987
_cell_angle_alpha 73.10754
_cell_angle_beta 72.72264
_cell_angle_gamma 34.16982
_cell_volume 160.69834
_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
Mg1 Mg 0.00460 0.99540 0.47244 1.00000
Mg2 Mg 0.47244 0.52756 0.00460 1.00000
Hg1 Hg 0.81461 0.83869 0.16131 1.00000
Hg2 Hg 0.16131 0.18539 0.81461 1.00000
Sb1 Sb 0.63358 0.61602 0.38398 1.00000
Sb2 Sb 0.38398 0.36642 0.63358 1.00000
H1 H 0.03099 0.96901 0.03099 1.00000
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