Sr3CaHg8
Alexandria ALEXAlex-ID: agm016976591 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_578_spg12
Ca3Hg4 CaHg3 SrHg2
2024-12-08 04:47:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016976591).
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 agm016976591
data_agm016976591
_cell_length_a 7.73303
_cell_length_b 5.06433
_cell_length_c 9.64692
_cell_angle_alpha 90.00000
_cell_angle_beta 113.99492
_cell_angle_gamma 90.00000
_cell_volume 345.14990
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.23581 0.50000 0.47151 1.00000
Sr3 Sr 0.76419 0.50000 0.52849 1.00000
Ca1 Ca 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.63528 0.50000 0.83500 1.00000
Hg2 Hg 0.56092 0.00000 0.66735 1.00000
Hg3 Hg 0.36472 0.50000 0.16500 1.00000
Hg4 Hg 0.89324 0.00000 0.33235 1.00000
Hg5 Hg 0.80143 0.50000 0.16465 1.00000
Hg6 Hg 0.43908 0.00000 0.33265 1.00000
Hg7 Hg 0.10676 0.00000 0.66765 1.00000
Hg8 Hg 0.19857 0.50000 0.83535 1.00000
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