Y3Sb2Se
Alexandria ALEXAlex-ID: agm035904754 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2356_spg9
Y3Sb2Se
2025-03-02 03:16:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035904754).
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 agm035904754
data_agm035904754
_cell_length_a 7.44700
_cell_length_b 7.44700
_cell_length_c 7.43264
_cell_angle_alpha 80.43944
_cell_angle_beta 99.56056
_cell_angle_gamma 59.97302
_cell_volume 336.59438
_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 0.17823 0.65973 0.50326 1.00000
Y2 Y 0.34027 0.82177 0.00326 1.00000
Y3 Y 0.50000 0.00000 0.50000 1.00000
Y4 Y 0.82177 0.34027 0.49674 1.00000
Y5 Y 0.00000 0.50000 0.00000 1.00000
Y6 Y 0.65973 0.17823 0.99674 1.00000
Sb1 Sb 0.91735 0.91735 0.75000 1.00000
Sb2 Sb 0.24715 0.24715 0.75000 1.00000
Sb3 Sb 0.08265 0.08265 0.25000 1.00000
Sb4 Sb 0.75285 0.75285 0.25000 1.00000
Se1 Se 0.58493 0.58493 0.75000 1.00000
Se2 Se 0.41507 0.41507 0.25000 1.00000
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