KCd2In2Br7
Alexandria ALEXAlex-ID: agm035857029 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_6_spg155
CdBr2 KCdBr3 InBr
2024-11-07 20:14:45.114103
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035857029).
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 agm035857029
data_agm035857029
_cell_length_a 11.85782
_cell_length_b 11.85782
_cell_length_c 11.85782
_cell_angle_alpha 36.59861
_cell_angle_beta 36.59861
_cell_angle_gamma 36.59861
_cell_volume 530.65319
_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 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.91803 0.91803 0.91803 1.00000
Cd2 Cd 0.08197 0.08197 0.08197 1.00000
In1 In 0.70910 0.70910 0.70910 1.00000
In2 In 0.29090 0.29090 0.29090 1.00000
Br1 Br 0.54802 0.92029 0.22809 1.00000
Br2 Br 0.92029 0.22809 0.54802 1.00000
Br3 Br 0.22809 0.54802 0.92029 1.00000
Br4 Br 0.77191 0.07971 0.45198 1.00000
Br5 Br 0.07971 0.45198 0.77191 1.00000
Br6 Br 0.00000 0.00000 0.00000 1.00000
Br7 Br 0.45198 0.77191 0.07971 1.00000
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