Rb4ClF3
Alexandria ALEXAlex-ID: agm006010804 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_8_spg65
RbCl RbF
2023-09-24 13:14:06.015401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010804).
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 agm006010804
data_agm006010804
_cell_length_a 4.20738
_cell_length_b 7.37669
_cell_length_c 7.37932
_cell_angle_alpha 70.72468
_cell_angle_beta 89.84485
_cell_angle_gamma 89.84497
_cell_volume 216.18852
_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
F1 F 0.49995 0.00009 0.50001 1.00000
F2 F 0.99996 0.00011 0.00001 1.00000
F3 F 0.99996 0.50009 0.49996 1.00000
Rb1 Rb 0.99996 0.77591 0.72417 1.00000
Rb2 Rb 0.50100 0.76174 0.26158 1.00000
Rb3 Rb 0.99996 0.22432 0.27578 1.00000
Rb4 Rb 0.49891 0.23855 0.73829 1.00000
Cl1 Cl 0.49996 0.50011 0.99997 1.00000
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