Cs3InBi2
Alexandria ALEXAlex-ID: agm003415420 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_910_spg12
Cs3InBi2
2022-03-21 12:37:28.338922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003415420).
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 agm003415420
data_agm003415420
_cell_length_a 5.23183
_cell_length_b 10.85835
_cell_length_c 13.75816
_cell_angle_alpha 66.41211
_cell_angle_beta 79.03930
_cell_angle_gamma 76.05957
_cell_volume 691.31615
_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
Cs1 Cs 0.05333 0.13310 0.76024 1.00000
Cs2 Cs 0.94667 0.86690 0.23976 1.00000
Cs3 Cs 0.66309 0.68060 0.99322 1.00000
Cs4 Cs 0.33691 0.31940 0.00678 1.00000
Cs5 Cs 0.78299 0.82838 0.60564 1.00000
Cs6 Cs 0.21701 0.17162 0.39436 1.00000
In1 In 0.43143 0.48296 0.65417 1.00000
In2 In 0.56857 0.51704 0.34583 1.00000
Bi1 Bi 0.87025 0.46679 0.79272 1.00000
Bi2 Bi 0.12975 0.53321 0.20728 1.00000
Bi3 Bi 0.58892 0.26931 0.55285 1.00000
Bi4 Bi 0.41108 0.73069 0.44715 1.00000
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