CsRb2NaHg2
Alexandria ALEXAlex-ID: agm004739655 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_282_spg26
CsRbHg RbHg Rb2Hg Cs2Na3Hg2
2022-07-11 11:15:49.484107
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004739655).
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 agm004739655
data_agm004739655
_cell_length_a 5.52158
_cell_length_b 9.71258
_cell_length_c 11.15262
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 598.10231
_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
Cs1 Cs 0.00000 0.97927 0.42779 1.00000
Cs2 Cs 0.00000 0.47927 0.57221 1.00000
Rb1 Rb 0.50000 0.02690 0.08239 1.00000
Rb2 Rb 0.00000 0.36561 0.18000 1.00000
Rb3 Rb 0.50000 0.52690 0.91761 1.00000
Rb4 Rb 0.00000 0.86561 0.82000 1.00000
Na1 Na 0.50000 0.15561 0.69323 1.00000
Na2 Na 0.50000 0.65561 0.30677 1.00000
Hg1 Hg 0.00000 0.23968 0.85855 1.00000
Hg2 Hg 0.50000 0.27852 0.39299 1.00000
Hg3 Hg 0.00000 0.73968 0.14145 1.00000
Hg4 Hg 0.50000 0.77852 0.60701 1.00000
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