Tb5Bi5Ir
Alexandria ALEXAlex-ID: agm003673837 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_38_spg12
TbBi Bi TbIr2
2022-04-09 18:04:58.833864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673837).
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 agm003673837
data_agm003673837
_cell_length_a 6.20733
_cell_length_b 7.35351
_cell_length_c 9.68385
_cell_angle_alpha 115.37647
_cell_angle_beta 90.00000
_cell_angle_gamma 114.96505
_cell_volume 353.12113
_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
Tb1 Tb 0.84991 0.69982 0.12158 1.00000
Tb2 Tb 0.82048 0.64096 0.70465 1.00000
Tb3 Tb 0.50000 0.00000 0.00000 1.00000
Tb4 Tb 0.17952 0.35904 0.29535 1.00000
Tb5 Tb 0.15009 0.30018 0.87842 1.00000
Bi1 Bi 0.71832 0.43664 0.33604 1.00000
Bi2 Bi 0.61398 0.22795 0.77850 1.00000
Bi3 Bi 0.00000 0.00000 0.50000 1.00000
Bi4 Bi 0.38602 0.77205 0.22150 1.00000
Bi5 Bi 0.28168 0.56336 0.66396 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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