Tb(BIr)2
Alexandria ALEXAlex-ID: agm005265608 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3928_spg141
Tb(BIr)2
2023-05-08 00:02:35.132791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265608).
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 agm005265608
data_agm005265608
_cell_length_a 8.28686
_cell_length_b 8.28686
_cell_length_c 8.28686
_cell_angle_alpha 133.92823
_cell_angle_beta 133.92823
_cell_angle_gamma 67.20013
_cell_volume 290.31560
_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 0.87500 0.62500 0.75000 1.00000
Tb2 Tb 0.87500 0.12500 0.25000 1.00000
Tb3 Tb 0.37500 0.12500 0.25000 1.00000
Tb4 Tb 0.87500 0.12500 0.75000 1.00000
B1 B 0.24682 0.38994 0.85688 1.00000
B2 B 0.53306 0.38994 0.14312 1.00000
B3 B 0.61006 0.75318 0.14312 1.00000
B4 B 0.50318 0.86006 0.64312 1.00000
B5 B 0.61006 0.46694 0.85688 1.00000
B6 B 0.21694 0.86006 0.35688 1.00000
B7 B 0.13994 0.49682 0.35688 1.00000
B8 B 0.13994 0.78306 0.64312 1.00000
Ir1 Ir 0.47067 0.18121 0.71054 1.00000
Ir2 Ir 0.47067 0.76013 0.28946 1.00000
Ir3 Ir 0.81879 0.52933 0.28946 1.00000
Ir4 Ir 0.27933 0.06879 0.78946 1.00000
Ir5 Ir 0.23987 0.52933 0.71054 1.00000
Ir6 Ir 0.27933 0.48987 0.21054 1.00000
Ir7 Ir 0.93121 0.72067 0.21054 1.00000
Ir8 Ir 0.51013 0.72067 0.78946 1.00000
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