Yb2Cu4As3
Alexandria ALEXAlex-ID: agm006220751 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_66_spg189
YbCuAs As Cu
2024-02-02 21:31:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220751).
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 agm006220751
data_agm006220751
_cell_length_a 13.36623
_cell_length_b 13.36623
_cell_length_c 4.05334
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 627.13656
_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
As1 As 0.64547 0.64547 0.00000 1.00000
As2 As 0.00000 0.35453 0.00000 1.00000
As3 As 0.48572 0.31227 0.50000 1.00000
As4 As 0.31227 0.48572 0.50000 1.00000
As5 As 0.17345 0.68773 0.50000 1.00000
As6 As 0.51428 0.82655 0.50000 1.00000
As7 As 0.82655 0.51428 0.50000 1.00000
As8 As 0.68773 0.17345 0.50000 1.00000
As9 As 0.82315 0.00000 0.00000 1.00000
As10 As 0.17685 0.17685 0.00000 1.00000
As11 As 0.00000 0.82315 0.00000 1.00000
As12 As 0.35453 0.00000 0.00000 1.00000
Yb1 Yb 0.00000 0.56452 0.00000 1.00000
Yb2 Yb 0.43548 0.43548 0.00000 1.00000
Yb3 Yb 0.56452 0.00000 0.00000 1.00000
Yb4 Yb 0.00000 0.18475 0.50000 1.00000
Yb5 Yb 0.81525 0.81525 0.50000 1.00000
Yb6 Yb 0.18475 0.00000 0.50000 1.00000
Yb7 Yb 0.66667 0.33333 0.00000 1.00000
Yb8 Yb 0.33333 0.66667 0.00000 1.00000
Cu1 Cu 0.12069 0.47529 0.50000 1.00000
Cu2 Cu 0.47529 0.12069 0.50000 1.00000
Cu3 Cu 0.87931 0.35459 0.50000 1.00000
Cu4 Cu 0.64541 0.52471 0.50000 1.00000
Cu5 Cu 0.52471 0.64541 0.50000 1.00000
Cu6 Cu 0.35459 0.87931 0.50000 1.00000
Cu7 Cu 0.37484 0.19057 0.00000 1.00000
Cu8 Cu 0.80943 0.18427 0.00000 1.00000
Cu9 Cu 0.00000 0.00000 0.00000 1.00000
Cu10 Cu 0.72439 0.00000 0.50000 1.00000
Cu11 Cu 0.27561 0.27561 0.50000 1.00000
Cu12 Cu 0.00000 0.72439 0.50000 1.00000
Cu13 Cu 0.19057 0.37484 0.00000 1.00000
Cu14 Cu 0.18427 0.80943 0.00000 1.00000
Cu15 Cu 0.62516 0.81573 0.00000 1.00000
Cu16 Cu 0.81573 0.62516 0.00000 1.00000
