Re2Tc4Ir3
Alexandria ALEXAlex-ID: agm005665702 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1349_spg2
ReTcIr2 Re3Ir Tc3Ir
2023-06-29 03:53:07.620720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665702).
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 agm005665702
data_agm005665702
_cell_length_a 5.49438
_cell_length_b 6.72808
_cell_length_c 11.96697
_cell_angle_alpha 89.99251
_cell_angle_beta 143.48329
_cell_angle_gamma 90.07944
_cell_volume 263.24033
_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
Re1 Re 0.30913 0.16261 0.38854 1.00000
Re2 Re 0.07963 0.49897 0.83419 1.00000
Re3 Re 0.69087 0.83739 0.61146 1.00000
Re4 Re 0.92037 0.50103 0.16581 1.00000
Tc1 Tc 0.36281 0.83210 0.27807 1.00000
Tc2 Tc 0.02901 0.82920 0.94463 1.00000
Tc3 Tc 0.63719 0.16790 0.72193 1.00000
Tc4 Tc 0.97099 0.17080 0.05537 1.00000
Tc5 Tc 0.79797 0.16485 0.38779 1.00000
Tc6 Tc 0.59058 0.50350 0.83315 1.00000
Tc7 Tc 0.20203 0.83515 0.61221 1.00000
Tc8 Tc 0.40942 0.49650 0.16685 1.00000
Ir1 Ir 0.86551 0.83616 0.27986 1.00000
Ir2 Ir 0.52863 0.82793 0.94287 1.00000
Ir3 Ir 0.13449 0.16384 0.72014 1.00000
Ir4 Ir 0.47137 0.17207 0.05713 1.00000
Ir5 Ir 0.25114 0.50179 0.50007 1.00000
Ir6 Ir 0.74886 0.49821 0.49993 1.00000
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