Al2InBiH6
Alexandria ALEXAlex-ID: agm008030752 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1294_spg15
AlH3 Bi In
2025-05-27 00:33:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008030752).
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 agm008030752
data_agm008030752
_cell_length_a 7.71493
_cell_length_b 7.71493
_cell_length_c 4.81341
_cell_angle_alpha 92.75924
_cell_angle_beta 87.24076
_cell_angle_gamma 103.86390
_cell_volume 277.62817
_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
Al1 Al 0.88109 0.35658 0.37337 1.00000
Al2 Al 0.35658 0.88109 0.12663 1.00000
Al3 Al 0.11891 0.64342 0.62663 1.00000
Al4 Al 0.64342 0.11891 0.87337 1.00000
In1 In 0.69330 0.69330 0.25000 1.00000
In2 In 0.30670 0.30670 0.75000 1.00000
Bi1 Bi 0.13847 0.13847 0.25000 1.00000
Bi2 Bi 0.86153 0.86153 0.75000 1.00000
H1 H 0.55154 0.03654 0.21784 1.00000
H2 H 0.03654 0.55154 0.28216 1.00000
H3 H 0.44846 0.96346 0.78216 1.00000
H4 H 0.96346 0.44846 0.71784 1.00000
H5 H 0.81487 0.25495 0.04728 1.00000
H6 H 0.25495 0.81487 0.45272 1.00000
H7 H 0.18513 0.74505 0.95272 1.00000
H8 H 0.74505 0.18513 0.54728 1.00000
H9 H 0.54694 0.30030 0.84877 1.00000
H10 H 0.30030 0.54694 0.65123 1.00000
H11 H 0.45306 0.69970 0.15123 1.00000
H12 H 0.69970 0.45306 0.34877 1.00000
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