RbTaSb2Ir5
Alexandria ALEXAlex-ID: agm052000913 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_28_spg123
Rb(SbIr)2 TaIr3
2024-12-11 22:37:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm052000913).
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 agm052000913
data_agm052000913
_cell_length_a 3.98070
_cell_length_b 3.98070
_cell_length_c 12.32282
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.26743
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Ta1 Ta 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.50000 0.50000 0.19988 1.00000
Sb2 Sb 0.50000 0.50000 0.80012 1.00000
Ir1 Ir 0.00000 0.50000 0.34720 1.00000
Ir2 Ir 0.50000 0.00000 0.34720 1.00000
Ir3 Ir 0.00000 0.50000 0.65280 1.00000
Ir4 Ir 0.50000 0.00000 0.65280 1.00000
Ir5 Ir 0.50000 0.50000 0.50000 1.00000
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