YEr5Sb6
Alexandria ALEXAlex-ID: agm027607282 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
YEr3Sb4 ErSb
2024-12-09 22:06:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027607282).
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 agm027607282
data_agm027607282
_cell_length_a 9.74497
_cell_length_b 9.74497
_cell_length_c 8.72226
_cell_angle_alpha 77.06936
_cell_angle_beta 102.93064
_cell_angle_gamma 154.14066
_cell_volume 351.62520
_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 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.83373 0.16627 0.16698 1.00000
Er3 Er 0.16627 0.83373 0.83302 1.00000
Er4 Er 0.83323 0.16677 0.66670 1.00000
Er5 Er 0.16677 0.83323 0.33330 1.00000
Sb1 Sb 0.33252 0.66748 0.91632 1.00000
Sb2 Sb 0.66668 0.33332 0.58321 1.00000
Sb3 Sb 0.66748 0.33252 0.08368 1.00000
Sb4 Sb 0.00017 0.99983 0.25202 1.00000
Sb5 Sb 0.99983 0.00017 0.74798 1.00000
Sb6 Sb 0.33332 0.66668 0.41679 1.00000
Get direct link