In2GeBi3
Alexandria ALEXAlex-ID: agm071975331 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_658_spg191
In Ge Bi
2025-04-13 19:57:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071975331).
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
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# CIF generated by HEAS from Alexandria entry agm071975331
data_agm071975331
_cell_length_a 4.78364
_cell_length_b 6.93617
_cell_length_c 7.96904
_cell_angle_alpha 55.07356
_cell_angle_beta 61.39090
_cell_angle_gamma 62.27932
_cell_volume 183.49675
_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
In1 In 0.85335 0.16335 0.27553 1.00000
In2 In 0.10493 0.47540 0.72500 1.00000
Ge1 Ge 0.45466 0.97264 0.99256 1.00000
Bi1 Bi 0.69480 0.71214 0.36469 1.00000
Bi2 Bi 0.04284 0.09111 0.63449 1.00000
Bi3 Bi 0.34941 0.58535 0.00773 1.00000
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