Cd3Sn2Hg
Alexandria ALEXAlex-ID: agm005640194 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_780_spg137
Cd Sn Hg
2023-08-07 11:17:22.399258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005640194).
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 agm005640194
data_agm005640194
_cell_length_a 4.96158
_cell_length_b 5.02230
_cell_length_c 16.73921
_cell_angle_alpha 126.85713
_cell_angle_beta 88.61788
_cell_angle_gamma 93.84210
_cell_volume 332.93148
_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
Cd1 Cd 0.75259 0.76958 0.24668 1.00000
Cd2 Cd 0.24741 0.23042 0.75332 1.00000
Cd3 Cd 0.76880 0.61201 0.86565 1.00000
Cd4 Cd 0.23120 0.38799 0.13435 1.00000
Cd5 Cd 0.29621 0.72056 0.50252 1.00000
Cd6 Cd 0.70379 0.27944 0.49748 1.00000
Sn1 Sn 0.26166 0.66234 0.99073 1.00000
Sn2 Sn 0.73834 0.33766 0.00927 1.00000
Sn3 Sn 0.80599 0.54893 0.37478 1.00000
Sn4 Sn 0.19401 0.45107 0.62522 1.00000
Hg1 Hg 0.28716 0.14011 0.25572 1.00000
Hg2 Hg 0.71284 0.85989 0.74428 1.00000
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