KRb(TlCl2)2
Alexandria ALEXAlex-ID: agm004781663 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
KRb(TlCl2)2
2022-07-13 13:22:12.398618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004781663).
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 agm004781663
data_agm004781663
_cell_length_a 4.61702
_cell_length_b 7.98583
_cell_length_c 7.99241
_cell_angle_alpha 70.49565
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99968
_cell_volume 277.77571
_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
K1 K 0.00000 0.49999 0.50000 1.00000
Rb1 Rb 0.50000 0.50000 1.00000 1.00000
Tl1 Tl 0.00000 0.00000 1.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Cl1 Cl 0.00000 0.75008 0.74306 1.00000
Cl2 Cl 1.00000 0.24992 0.25694 1.00000
Cl3 Cl 0.50000 0.74568 0.25766 1.00000
Cl4 Cl 0.50000 0.25432 0.74234 1.00000
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