Y2PaSb3
Alexandria ALEXAlex-ID: agm041502811 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Pa3Sb Pa3Sb4 YSb
2025-04-14 14:30:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041502811).
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 agm041502811
data_agm041502811
_cell_length_a 14.53792
_cell_length_b 13.86135
_cell_length_c 7.59246
_cell_angle_alpha 79.47963
_cell_angle_beta 69.62495
_cell_angle_gamma 30.89543
_cell_volume 714.68557
_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 0.99967 0.99967 0.50033 1.00000
Y2 Y 0.41697 0.41697 0.58303 1.00000
Y3 Y 0.83303 0.83303 0.66697 1.00000
Y4 Y 0.25033 0.25033 0.74967 1.00000
Y5 Y 0.74967 0.74967 0.25033 1.00000
Y6 Y 0.66697 0.66697 0.83303 1.00000
Y7 Y 0.58303 0.58303 0.41697 1.00000
Y8 Y 0.50033 0.50033 0.99967 1.00000
Pa1 Pa 0.91671 0.91671 0.08329 1.00000
Pa2 Pa 0.33329 0.33329 0.16671 1.00000
Pa3 Pa 0.16671 0.16671 0.33329 1.00000
Pa4 Pa 0.08329 0.08329 0.91671 1.00000
Sb1 Sb 0.66650 0.16637 0.83425 1.00000
Sb2 Sb 0.16637 0.66650 0.33288 1.00000
Sb3 Sb 0.58350 0.08363 0.41575 1.00000
Sb4 Sb 0.08363 0.58350 0.91712 1.00000
Sb5 Sb 0.49977 0.00023 0.00023 1.00000
Sb6 Sb 0.00023 0.49977 0.49977 1.00000
Sb7 Sb 0.91712 0.41575 0.08363 1.00000
Sb8 Sb 0.41575 0.91712 0.58350 1.00000
Sb9 Sb 0.33288 0.83425 0.16637 1.00000
Sb10 Sb 0.83425 0.33288 0.66650 1.00000
Sb11 Sb 0.75023 0.24977 0.24977 1.00000
Sb12 Sb 0.24977 0.75023 0.75023 1.00000
