DySc2Bi3
Alexandria ALEXAlex-ID: agm034612346 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
ScBi DyBi
2025-04-15 08:56:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034612346).
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 agm034612346
data_agm034612346
_cell_length_a 14.38631
_cell_length_b 13.71861
_cell_length_c 7.50973
_cell_angle_alpha 79.47695
_cell_angle_beta 69.64411
_cell_angle_gamma 30.87894
_cell_volume 692.15772
_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
Dy1 Dy 0.91688 0.91688 0.08312 1.00000
Dy2 Dy 0.33312 0.33312 0.16688 1.00000
Dy3 Dy 0.16688 0.16688 0.33312 1.00000
Dy4 Dy 0.08312 0.08312 0.91688 1.00000
Sc1 Sc 0.00154 0.00154 0.49846 1.00000
Sc2 Sc 0.41508 0.41508 0.58492 1.00000
Sc3 Sc 0.83492 0.83492 0.66508 1.00000
Sc4 Sc 0.24846 0.24846 0.75154 1.00000
Sc5 Sc 0.75154 0.75154 0.24846 1.00000
Sc6 Sc 0.66508 0.66508 0.83492 1.00000
Sc7 Sc 0.58492 0.58492 0.41508 1.00000
Sc8 Sc 0.49846 0.49846 0.00154 1.00000
Bi1 Bi 0.66920 0.16830 0.82060 1.00000
Bi2 Bi 0.16830 0.66920 0.34191 1.00000
Bi3 Bi 0.58080 0.08170 0.42940 1.00000
Bi4 Bi 0.08170 0.58080 0.90809 1.00000
Bi5 Bi 0.51172 0.98828 0.98828 1.00000
Bi6 Bi 0.98828 0.51172 0.51172 1.00000
Bi7 Bi 0.90809 0.42940 0.08170 1.00000
Bi8 Bi 0.42940 0.90809 0.58080 1.00000
Bi9 Bi 0.34191 0.82060 0.16830 1.00000
Bi10 Bi 0.82060 0.34191 0.66920 1.00000
Bi11 Bi 0.73828 0.26172 0.26172 1.00000
Bi12 Bi 0.26172 0.73828 0.73828 1.00000
