Ca3Dy5Sb8
Alexandria ALEXAlex-ID: agm008940751 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
DySb CaSb
2024-03-03 04:54:06.929546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008940751).
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 agm008940751
data_agm008940751
_cell_length_a 8.95579
_cell_length_b 8.95579
_cell_length_c 8.95579
_cell_angle_alpha 58.85767
_cell_angle_beta 58.85767
_cell_angle_gamma 58.85767
_cell_volume 494.67624
_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
Ca1 Ca 0.00000 0.50000 0.00000 1.00000
Ca2 Ca 0.00000 0.00000 0.50000 1.00000
Ca3 Ca 0.50000 0.00000 0.00000 1.00000
Dy1 Dy 0.00000 0.50000 0.50000 1.00000
Dy2 Dy 0.50000 0.50000 0.00000 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Dy4 Dy 0.50000 0.00000 0.50000 1.00000
Dy5 Dy 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.25010 0.25010 0.74291 1.00000
Sb2 Sb 0.74291 0.25010 0.25010 1.00000
Sb3 Sb 0.25010 0.74291 0.25010 1.00000
Sb4 Sb 0.74581 0.74581 0.74581 1.00000
Sb5 Sb 0.74990 0.74990 0.25709 1.00000
Sb6 Sb 0.25709 0.74990 0.74990 1.00000
Sb7 Sb 0.74990 0.25709 0.74990 1.00000
Sb8 Sb 0.25419 0.25419 0.25419 1.00000
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