RbNbHg
Alexandria ALEXAlex-ID: agm003134580 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1346_spg25
Nb RbHg
2015-07-04 17:58:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003134580).
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
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# CIF generated by HEAS from Alexandria entry agm003134580
data_agm003134580
_cell_length_a 4.37112
_cell_length_b 3.68235
_cell_length_c 13.65788
_cell_angle_alpha 104.81601
_cell_angle_beta 90.02179
_cell_angle_gamma 90.00059
_cell_volume 212.52779
_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
Nb1 Nb 0.12061 0.32603 0.42203 1.00000
Nb2 Nb 0.12045 0.68800 0.27651 1.00000
Hg1 Hg 0.62044 0.15974 0.24678 1.00000
Hg2 Hg 0.62069 0.87253 0.47158 1.00000
Rb1 Rb 0.62024 0.43781 0.01262 1.00000
Rb2 Rb 0.12083 0.56339 0.68346 1.00000
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