YPa5Sb6
Alexandria ALEXAlex-ID: agm006121503 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
Pa3Sb Pa3Sb4 YSb
2023-09-12 16:21:37.836816
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006121503).
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 agm006121503
data_agm006121503
_cell_length_a 7.55248
_cell_length_b 7.55749
_cell_length_c 7.55777
_cell_angle_alpha 60.00123
_cell_angle_beta 80.39207
_cell_angle_gamma 70.49902
_cell_volume 352.16091
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.75101 0.08298 0.33233 1.00000
Sb2 Sb 0.24899 0.58469 0.33233 1.00000
Sb3 Sb 0.24929 0.24925 0.00000 1.00000
Sb4 Sb 0.75071 0.75075 1.00000 1.00000
Sb5 Sb 0.75101 0.41531 0.66767 1.00000
Sb6 Sb 0.24899 0.91702 0.66767 1.00000
Pa1 Pa 0.50000 0.16629 0.66742 1.00000
Pa2 Pa 0.00000 0.33339 0.33322 1.00000
Pa3 Pa 0.50000 0.50000 0.00000 1.00000
Pa4 Pa 1.00000 0.66661 0.66678 1.00000
Pa5 Pa 0.50000 0.83371 0.33258 1.00000
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