TbEr3Ir4
Alexandria ALEXAlex-ID: agm017221483 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_304_spg12
TbEr5Ir6 TbEr2Ir3
2024-10-26 06:13:36.372972
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017221483).
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 agm017221483
data_agm017221483
_cell_length_a 7.53629
_cell_length_b 7.53629
_cell_length_c 7.53629
_cell_angle_alpha 142.37774
_cell_angle_beta 142.37774
_cell_angle_gamma 54.26020
_cell_volume 158.42835
_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 0.00000 0.00000 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.25034 0.25034 0.00000 1.00000
Er3 Er 0.74966 0.74966 0.00000 1.00000
Ir1 Ir 0.87388 0.37388 0.50000 1.00000
Ir2 Ir 0.12612 0.62612 0.50000 1.00000
Ir3 Ir 0.62612 0.12612 0.50000 1.00000
Ir4 Ir 0.37388 0.87388 0.50000 1.00000
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