Yb2Al6B
Alexandria ALEXAlex-ID: agm002255152 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2_spg225
YbAlB4 YbAl2 Al
2018-09-30 09:37:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255152).
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 agm002255152
data_agm002255152
_cell_length_a 6.15222
_cell_length_b 6.15219
_cell_length_c 6.15217
_cell_angle_alpha 59.99966
_cell_angle_beta 59.99888
_cell_angle_gamma 59.99900
_cell_volume 164.65184
_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
Yb1 Yb 0.25000 0.25000 0.25000 1.00000
Yb2 Yb 0.75000 0.75000 0.75000 1.00000
Al1 Al 0.23193 0.76807 0.76807 1.00000
Al2 Al 0.76807 0.76807 0.23193 1.00000
Al3 Al 0.23193 0.76807 0.23193 1.00000
Al4 Al 0.76807 0.23193 0.23193 1.00000
Al5 Al 0.76807 0.23193 0.76807 1.00000
Al6 Al 0.23193 0.23193 0.76807 1.00000
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