Sr3Cd7Hg4
Alexandria ALEXAlex-ID: agm005698175 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Sr3Cd7Hg4
2023-06-29 17:49:48.417875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698175).
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 agm005698175
data_agm005698175
_cell_length_a 4.96941
_cell_length_b 9.29508
_cell_length_c 9.40211
_cell_angle_alpha 65.84361
_cell_angle_beta 74.67636
_cell_angle_gamma 74.49549
_cell_volume 375.87217
_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 0.29370 0.20530 0.20730 1.00000
Sr2 Sr 0.70630 0.79470 0.79270 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.34057 0.80482 0.51403 1.00000
Cd2 Cd 0.49775 0.18406 0.82045 1.00000
Cd3 Cd 0.86105 0.35175 0.92615 1.00000
Cd4 Cd 0.65943 0.19518 0.48597 1.00000
Cd5 Cd 0.13895 0.64825 0.07385 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.50225 0.81594 0.17955 1.00000
Hg1 Hg 0.66068 0.47575 0.20289 1.00000
Hg2 Hg 0.33932 0.52425 0.79711 1.00000
Hg3 Hg 0.86290 0.92689 0.34732 1.00000
Hg4 Hg 0.13710 0.07311 0.65268 1.00000
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