RbMgCl4
Alexandria ALEXAlex-ID: agm013301773 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_202_spg12
RbCl3 RbMgCl3 MgCl2
2024-07-18 20:30:33.466150
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013301773).
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 agm013301773
data_agm013301773
_cell_length_a 7.67987
_cell_length_b 7.67987
_cell_length_c 8.52474
_cell_angle_alpha 71.86023
_cell_angle_beta 71.86023
_cell_angle_gamma 56.99042
_cell_volume 394.28849
_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 0.82385 0.82385 0.73561 1.00000
Rb2 Rb 0.17615 0.17615 0.26439 1.00000
Mg1 Mg 0.52439 0.52439 0.20128 1.00000
Mg2 Mg 0.47561 0.47561 0.79872 1.00000
Cl1 Cl 0.70271 0.70271 0.15573 1.00000
Cl2 Cl 0.17708 0.66820 0.36173 1.00000
Cl3 Cl 0.25842 0.74158 0.00000 1.00000
Cl4 Cl 0.33180 0.82292 0.63827 1.00000
Cl5 Cl 0.29729 0.29729 0.84427 1.00000
Cl6 Cl 0.82292 0.33180 0.63827 1.00000
Cl7 Cl 0.74158 0.25842 0.00000 1.00000
Cl8 Cl 0.66820 0.17708 0.36173 1.00000
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