Ac2MgSnHg6
Alexandria ALEXAlex-ID: agm004938751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_414_spg12
AcSnHg AcHg3 MgHg Hg
2023-01-14 04:42:35.432293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004938751).
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 agm004938751
data_agm004938751
_cell_length_a 10.33692
_cell_length_b 5.76922
_cell_length_c 7.53366
_cell_angle_alpha 70.99331
_cell_angle_beta 47.51551
_cell_angle_gamma 93.87900
_cell_volume 285.36822
_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
Ac1 Ac 0.22926 0.73342 0.54540 1.00000
Ac2 Ac 0.77074 0.26658 0.45460 1.00000
Mg1 Mg 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.29849 0.79429 0.95197 1.00000
Hg2 Hg 0.65523 0.65575 0.16798 1.00000
Hg3 Hg 0.08565 0.24014 0.48492 1.00000
Hg4 Hg 0.70151 0.20571 0.04803 1.00000
Hg5 Hg 0.34477 0.34425 0.83202 1.00000
Hg6 Hg 0.91435 0.75986 0.51508 1.00000
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