YEr2Sb3
Alexandria ALEXAlex-ID: agm034356593 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Y3ErSb4 YEr3Sb4
2024-12-20 18:37:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034356593).
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 agm034356593
data_agm034356593
_cell_length_a 14.48149
_cell_length_b 13.81141
_cell_length_c 7.55509
_cell_angle_alpha 79.47502
_cell_angle_beta 69.66586
_cell_angle_gamma 30.85912
_cell_volume 705.46266
_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 0.91673 0.91673 0.08327 1.00000
Y2 Y 0.33327 0.33327 0.16673 1.00000
Y3 Y 0.16673 0.16673 0.33327 1.00000
Y4 Y 0.08327 0.08327 0.91673 1.00000
Er1 Er 0.00031 0.00031 0.49969 1.00000
Er2 Er 0.41639 0.41639 0.58361 1.00000
Er3 Er 0.83361 0.83361 0.66639 1.00000
Er4 Er 0.24969 0.24969 0.75031 1.00000
Er5 Er 0.75031 0.75031 0.24969 1.00000
Er6 Er 0.66639 0.66639 0.83361 1.00000
Er7 Er 0.58361 0.58361 0.41639 1.00000
Er8 Er 0.49969 0.49969 0.00031 1.00000
Sb1 Sb 0.66713 0.16698 0.83092 1.00000
Sb2 Sb 0.16698 0.66713 0.33497 1.00000
Sb3 Sb 0.58287 0.08302 0.41908 1.00000
Sb4 Sb 0.08302 0.58287 0.91503 1.00000
Sb5 Sb 0.50217 0.99783 0.99783 1.00000
Sb6 Sb 0.99783 0.50217 0.50217 1.00000
Sb7 Sb 0.91503 0.41908 0.08302 1.00000
Sb8 Sb 0.41908 0.91503 0.58287 1.00000
Sb9 Sb 0.33497 0.83092 0.16698 1.00000
Sb10 Sb 0.83092 0.33497 0.66713 1.00000
Sb11 Sb 0.74783 0.25217 0.25217 1.00000
Sb12 Sb 0.25217 0.74783 0.74783 1.00000
