Ca3In2Bi3
Alexandria ALEXAlex-ID: agm010084754 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
Ca5(InBi3)2 Ca11Bi10 In
2024-03-03 04:37:23.327601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010084754).
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 agm010084754
data_agm010084754
_cell_length_a 9.66313
_cell_length_b 9.66313
_cell_length_c 6.63675
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 536.68786
_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
Ca1 Ca 0.30689 0.00000 0.75000 1.00000
Ca2 Ca 0.69311 0.69311 0.75000 1.00000
Ca3 Ca 0.00000 0.30689 0.75000 1.00000
Ca4 Ca 0.69311 0.00000 0.25000 1.00000
Ca5 Ca 0.30689 0.30689 0.25000 1.00000
Ca6 Ca 0.00000 0.69311 0.25000 1.00000
In1 In 0.33333 0.66667 0.00000 1.00000
In2 In 0.66667 0.33333 0.50000 1.00000
In3 In 0.66667 0.33333 0.00000 1.00000
In4 In 0.33333 0.66667 0.50000 1.00000
Bi1 Bi 0.64116 0.00000 0.75000 1.00000
Bi2 Bi 0.35884 0.35884 0.75000 1.00000
Bi3 Bi 0.00000 0.64116 0.75000 1.00000
Bi4 Bi 0.35884 0.00000 0.25000 1.00000
Bi5 Bi 0.64116 0.64116 0.25000 1.00000
Bi6 Bi 0.00000 0.35884 0.25000 1.00000
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