RbBa2Ag
Alexandria ALEXAlex-ID: agm005777979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2552_spg8
Ba3Ag2 Rb Ba
2023-07-13 09:09:00.850918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777979).
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 agm005777979
data_agm005777979
_cell_length_a 4.78154
_cell_length_b 8.78599
_cell_length_c 12.08021
_cell_angle_alpha 83.97464
_cell_angle_beta 101.41480
_cell_angle_gamma 90.00008
_cell_volume 494.59730
_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 0.49679 0.24513 0.99358 1.00000
Rb2 Rb 0.50321 0.75487 0.00642 1.00000
Ba1 Ba 0.17069 0.95224 0.34139 1.00000
Ba2 Ba 0.32327 0.56570 0.64655 1.00000
Ba3 Ba 0.67673 0.43430 0.35345 1.00000
Ba4 Ba 0.82931 0.04776 0.65861 1.00000
Ag1 Ag 0.25453 0.24596 0.50905 1.00000
Ag2 Ag 0.74547 0.75404 0.49095 1.00000
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