Th3Bi2Ir
Alexandria ALEXAlex-ID: agm013035005 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2027_spg8
Th5Bi3Ir Th3Bi4 ThIr
2025-04-14 01:50:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013035005).
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 agm013035005
data_agm013035005
_cell_length_a 4.24324
_cell_length_b 6.42976
_cell_length_c 7.91091
_cell_angle_alpha 113.94734
_cell_angle_beta 105.55868
_cell_angle_gamma 90.00468
_cell_volume 188.56558
_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 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.86524 0.86507 0.72974 1.00000
Th3 Th 0.13476 0.13493 0.27026 1.00000
Bi1 Bi 0.81901 0.31972 0.63909 1.00000
Bi2 Bi 0.18099 0.68028 0.36091 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
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