RbCa(AlCl4)2
Alexandria ALEXAlex-ID: agm004883787 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
Ca(AlCl4)2 RbAlCl4 CaCl2 Al
2022-08-10 04:39:13.424535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004883787).
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 agm004883787
data_agm004883787
_cell_length_a 6.68929
_cell_length_b 6.68929
_cell_length_c 10.48811
_cell_angle_alpha 71.40367
_cell_angle_beta 71.40367
_cell_angle_gamma 60.00000
_cell_volume 377.87326
_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 0.50000 0.50000 0.50000 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.25337 0.25337 0.23989 1.00000
Al2 Al 0.74663 0.74663 0.76011 1.00000
Cl1 Cl 0.17871 0.17871 0.46386 1.00000
Cl2 Cl 0.59718 0.27755 0.17065 1.00000
Cl3 Cl 0.82129 0.82129 0.53614 1.00000
Cl4 Cl 0.95462 0.59718 0.17065 1.00000
Cl5 Cl 0.04538 0.40282 0.82935 1.00000
Cl6 Cl 0.27755 0.95462 0.17065 1.00000
Cl7 Cl 0.72245 0.04538 0.82935 1.00000
Cl8 Cl 0.40282 0.72245 0.82935 1.00000
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