Yb2BIr6
Alexandria ALEXAlex-ID: agm002255486 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2_spg225
Yb2B4Ir5 Ir YbIr2
2018-09-30 19:02:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255486).
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 agm002255486
data_agm002255486
_cell_length_a 5.78630
_cell_length_b 5.78639
_cell_length_c 5.78639
_cell_angle_alpha 59.99889
_cell_angle_beta 60.00054
_cell_angle_gamma 60.00051
_cell_volume 136.99377
_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
B1 B 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.23925 0.76075 0.76075 1.00000
Ir2 Ir 0.76075 0.76075 0.23925 1.00000
Ir3 Ir 0.23925 0.76075 0.23925 1.00000
Ir4 Ir 0.76075 0.23925 0.23925 1.00000
Ir5 Ir 0.76075 0.23925 0.76075 1.00000
Ir6 Ir 0.23925 0.23925 0.76075 1.00000
Yb1 Yb 0.25000 0.25000 0.25000 1.00000
Yb2 Yb 0.75000 0.75000 0.75000 1.00000
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