Tb3TmIr3
Alexandria ALEXAlex-ID: agm003545400 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
TbTm2Ir3 Tb5Ir3
2022-04-04 10:50:03.377139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545400).
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 agm003545400
data_agm003545400
_cell_length_a 6.98925
_cell_length_b 6.98925
_cell_length_c 6.59794
_cell_angle_alpha 90.01067
_cell_angle_beta 90.01067
_cell_angle_gamma 88.86641
_cell_volume 322.24428
_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 0.75469 0.75469 0.49985 1.00000
Tb2 Tb 0.24613 0.75387 0.50000 1.00000
Tb3 Tb 0.75387 0.24613 0.50000 1.00000
Tb4 Tb 0.25414 0.74586 0.00000 1.00000
Tb5 Tb 0.74586 0.25414 0.00000 1.00000
Tb6 Tb 0.24531 0.24531 0.50015 1.00000
Tm1 Tm 0.76463 0.76463 0.99983 1.00000
Tm2 Tm 0.23537 0.23537 0.00017 1.00000
Ir1 Ir 0.99998 0.99998 0.24970 1.00000
Ir2 Ir 0.00001 0.49998 0.75339 1.00000
Ir3 Ir 0.49998 0.00001 0.75339 1.00000
Ir4 Ir 0.99999 0.50002 0.24661 1.00000
Ir5 Ir 0.50002 0.99999 0.24661 1.00000
Ir6 Ir 0.00002 0.00002 0.75030 1.00000
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