RbHg2GeSe4
Alexandria ALEXAlex-ID: agm004773370 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
Rb2Hg3(GeSe4)2 Hg
2022-07-14 08:49:05.973405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004773370).
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 agm004773370
data_agm004773370
_cell_length_a 7.45006
_cell_length_b 7.45006
_cell_length_c 6.90532
_cell_angle_alpha 122.46463
_cell_angle_beta 122.46463
_cell_angle_gamma 90.28301
_cell_volume 248.64285
_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 0.99805 0.99805 0.99610 1.00000
Hg1 Hg 0.75752 0.25752 0.51503 1.00000
Hg2 Hg 0.25752 0.75752 0.51503 1.00000
Ge1 Ge 0.49875 0.49875 0.99750 1.00000
Se1 Se 0.53329 0.53329 0.68899 1.00000
Se2 Se 0.46201 0.83746 0.29947 1.00000
Se3 Se 0.83746 0.46201 0.29947 1.00000
Se4 Se 0.15570 0.15570 0.68899 1.00000
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