RbSn2Hg
Alexandria ALEXAlex-ID: agm005769331 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3723_spg63
RbSn RbHg2 Rb4Sn21Hg2
2023-07-14 17:52:00.365580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005769331).
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 agm005769331
data_agm005769331
_cell_length_a 4.40729
_cell_length_b 6.70123
_cell_length_c 20.61148
_cell_angle_alpha 89.98588
_cell_angle_beta 90.01388
_cell_angle_gamma 90.00126
_cell_volume 608.74405
_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
Rb1 Rb 0.74998 0.76664 0.10364 1.00000
Rb2 Rb 0.24980 0.73358 0.60366 1.00000
Rb3 Rb 0.25002 0.23336 0.89636 1.00000
Rb4 Rb 0.75020 0.26642 0.39634 1.00000
Sn1 Sn 0.25061 0.01668 0.25011 1.00000
Sn2 Sn 0.75074 0.76637 0.31607 1.00000
Sn3 Sn 0.24926 0.23363 0.68393 1.00000
Sn4 Sn 0.74940 0.48343 0.75025 1.00000
Sn5 Sn 0.24940 0.73354 0.81623 1.00000
Sn6 Sn 0.25060 0.51657 0.24975 1.00000
Sn7 Sn 0.74939 0.98332 0.74989 1.00000
Sn8 Sn 0.75060 0.26646 0.18377 1.00000
Hg1 Hg 0.25074 0.76474 0.42746 1.00000
Hg2 Hg 0.74926 0.23526 0.57254 1.00000
Hg3 Hg 0.25038 0.26491 0.07247 1.00000
Hg4 Hg 0.74962 0.73509 0.92753 1.00000
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