Tm3Ta2Ir7
Alexandria ALEXAlex-ID: agm101810709 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Tm2TaIr3 TmIr2 TaIr3
2025-05-17 15:58:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101810709).
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 agm101810709
data_agm101810709
_cell_length_a 9.11260
_cell_length_b 9.11260
_cell_length_c 9.11260
_cell_angle_alpha 34.73881
_cell_angle_beta 34.73881
_cell_angle_gamma 34.73881
_cell_volume 219.29420
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.85993 0.85993 0.85993 1.00000
Tm3 Tm 0.14007 0.14007 0.14007 1.00000
Ta1 Ta 0.66510 0.66510 0.66510 1.00000
Ta2 Ta 0.33490 0.33490 0.33490 1.00000
Ir1 Ir 0.50000 0.50000 0.50000 1.00000
Ir2 Ir 0.41233 0.41233 0.92206 1.00000
Ir3 Ir 0.92206 0.41233 0.41233 1.00000
Ir4 Ir 0.41233 0.92206 0.41233 1.00000
Ir5 Ir 0.58767 0.58767 0.07794 1.00000
Ir6 Ir 0.58767 0.07794 0.58767 1.00000
Ir7 Ir 0.07794 0.58767 0.58767 1.00000
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