Th(InBi)2
Alexandria ALEXAlex-ID: agm005963626 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_443_spg139
In ThBi2
2023-08-05 18:01:06.840175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963626).
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 agm005963626
data_agm005963626
_cell_length_a 4.21654
_cell_length_b 4.21772
_cell_length_c 8.98595
_cell_angle_alpha 76.62008
_cell_angle_beta 76.62960
_cell_angle_gamma 89.90272
_cell_volume 151.02909
_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
Th1 Th 0.20005 0.99996 0.00000 1.00000
In1 In 0.00074 0.80058 0.40039 1.00000
In2 In 0.39909 0.19944 0.59961 1.00000
Bi1 Bi 0.79551 0.59554 0.80529 1.00000
Bi2 Bi 0.60451 0.40440 0.19470 1.00000
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