Yb3Y
Alexandria ALEXAlex-ID: agm005495531 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_440_spg194
YbY Yb7Y
2023-03-20 10:52:25.118299
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495531).
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 agm005495531
data_agm005495531
_cell_length_a 7.26441
_cell_length_b 7.26441
_cell_length_c 5.93899
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 271.42128
_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
Yb1 Yb 0.16885 0.33770 0.25000 1.00000
Yb2 Yb 0.66230 0.83115 0.25000 1.00000
Yb3 Yb 0.16885 0.83115 0.25000 1.00000
Yb4 Yb 0.83115 0.66230 0.75000 1.00000
Yb5 Yb 0.33770 0.16885 0.75000 1.00000
Yb6 Yb 0.83115 0.16885 0.75000 1.00000
Y1 Y 0.33333 0.66667 0.75000 1.00000
Y2 Y 0.66667 0.33333 0.25000 1.00000
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