Tb8In2Ir3
Alexandria ALEXAlex-ID: agm005643221 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_378_spg65
Tb21(In2Ir5)2 Tb11In9Ir4 Tb4InIr
2023-06-15 19:45:43.472351
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643221).
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 agm005643221
data_agm005643221
_cell_length_a 4.95567
_cell_length_b 9.92724
_cell_length_c 8.85253
_cell_angle_alpha 124.07654
_cell_angle_beta 90.00006
_cell_angle_gamma 90.00000
_cell_volume 360.72859
_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 0.00000 0.61103 0.22209 1.00000
Tb2 Tb 1.00000 0.38897 0.77791 1.00000
Tb3 Tb 1.00000 0.11356 0.22723 1.00000
Tb4 Tb 0.00000 0.88644 0.77277 1.00000
Tb5 Tb 0.50000 0.64141 0.77555 1.00000
Tb6 Tb 0.50000 0.13417 0.77533 1.00000
Tb7 Tb 0.50000 0.86583 0.22467 1.00000
Tb8 Tb 0.50000 0.35859 0.22445 1.00000
In1 In 0.50000 0.25576 0.51083 1.00000
In2 In 0.50000 0.74424 0.48917 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.25363 0.99988 1.00000
Ir3 Ir 1.00000 0.74637 0.00012 1.00000
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