Yb(CuB3)2
Alexandria ALEXAlex-ID: agm002388331 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_96_spg71
YbB6 Cu
2019-06-22 15:48:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002388331).
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 agm002388331
data_agm002388331
_cell_length_a 3.13261
_cell_length_b 5.50751
_cell_length_c 5.50751
_cell_angle_alpha 74.55793
_cell_angle_beta 73.43153
_cell_angle_gamma 73.43153
_cell_volume 85.50632
_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 0.69577 0.06688 0.54155 1.00000
B2 B 0.30423 0.93311 0.45845 1.00000
B3 B 0.30423 0.45845 0.93311 1.00000
B4 B 0.50000 0.66032 0.33967 1.00000
B5 B 0.50000 0.33967 0.66032 1.00000
B6 B 0.69577 0.54155 0.06688 1.00000
Yb1 Yb 0.00000 1.00000 1.00000 1.00000
Cu1 Cu 0.84341 0.65762 0.65762 1.00000
Cu2 Cu 0.15659 0.34238 0.34238 1.00000
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