Tb2Zn2Ir
Alexandria ALEXAlex-ID: agm003391981 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1402_spg12
Tb2ZnIr2 Tb5Ir3 TbZn2
2022-02-12 03:30:48.490482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003391981).
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
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# CIF generated by HEAS from Alexandria entry agm003391981
data_agm003391981
_cell_length_a 3.94832
_cell_length_b 5.61551
_cell_length_c 10.62614
_cell_angle_alpha 92.47964
_cell_angle_beta 79.29321
_cell_angle_gamma 69.41759
_cell_volume 215.20713
_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 0.66916 0.32533 0.33635 1.00000
Tb2 Tb 0.92972 0.26580 0.87476 1.00000
Tb3 Tb 0.33084 0.67467 0.66365 1.00000
Tb4 Tb 0.07028 0.73420 0.12524 1.00000
Zn1 Zn 0.11568 0.22125 0.54738 1.00000
Zn2 Zn 0.63282 0.84142 0.89294 1.00000
Zn3 Zn 0.88432 0.77875 0.45262 1.00000
Zn4 Zn 0.36718 0.15858 0.10706 1.00000
Ir1 Ir 0.61197 0.08926 0.68679 1.00000
Ir2 Ir 0.38803 0.91074 0.31321 1.00000
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