Sn6Hg3AsP2
Alexandria ALEXAlex-ID: agm004635467 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_221_spg12
Sn4As3 Sn Hg Sn4P3
2022-06-28 16:42:45.095720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635467).
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 agm004635467
data_agm004635467
_cell_length_a 6.87381
_cell_length_b 6.87381
_cell_length_c 7.86672
_cell_angle_alpha 98.11314
_cell_angle_beta 98.11314
_cell_angle_gamma 120.18100
_cell_volume 308.17229
_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
Sn1 Sn 0.92941 0.58553 0.78251 1.00000
Sn2 Sn 0.72687 0.72687 0.21693 1.00000
Sn3 Sn 0.07059 0.41447 0.21749 1.00000
Sn4 Sn 0.58553 0.92941 0.78251 1.00000
Sn5 Sn 0.27313 0.27313 0.78307 1.00000
Sn6 Sn 0.41447 0.07059 0.21749 1.00000
Hg1 Hg 0.16343 0.83657 0.50000 1.00000
Hg2 Hg 0.83657 0.16343 0.50000 1.00000
Hg3 Hg 0.50000 0.50000 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
P1 P 0.33282 0.66718 0.00000 1.00000
P2 P 0.66718 0.33282 0.00000 1.00000
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