Sr5Sc3(Cu4P3)4
Alexandria ALEXAlex-ID: agm017933646 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12D16_0_spg189
Sr5Sc3(Cu4P3)4
2024-10-01 22:00:37.823673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017933646).
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 agm017933646
data_agm017933646
_cell_length_a 12.98112
_cell_length_b 12.98112
_cell_length_c 3.96558
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 578.71097
_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
Sr1 Sr 0.00000 0.18902 0.50000 1.00000
Sr2 Sr 0.18902 0.00000 0.50000 1.00000
Sr3 Sr 0.81098 0.81098 0.50000 1.00000
Sr4 Sr 0.33333 0.66667 0.00000 1.00000
Sr5 Sr 0.66667 0.33333 0.00000 1.00000
Sc1 Sc 0.00000 0.56957 0.00000 1.00000
Sc2 Sc 0.56957 0.00000 0.00000 1.00000
Sc3 Sc 0.43043 0.43043 0.00000 1.00000
Cu1 Cu 0.00000 0.72377 0.50000 1.00000
Cu2 Cu 0.72377 0.00000 0.50000 1.00000
Cu3 Cu 0.27623 0.27623 0.50000 1.00000
Cu4 Cu 0.19076 0.37762 0.00000 1.00000
Cu5 Cu 0.18687 0.80924 0.00000 1.00000
Cu6 Cu 0.62238 0.81313 0.00000 1.00000
Cu7 Cu 0.81313 0.62238 0.00000 1.00000
Cu8 Cu 0.37762 0.19076 0.00000 1.00000
Cu9 Cu 0.80924 0.18687 0.00000 1.00000
Cu10 Cu 0.12187 0.48364 0.50000 1.00000
Cu11 Cu 0.36177 0.87813 0.50000 1.00000
Cu12 Cu 0.51636 0.63823 0.50000 1.00000
Cu13 Cu 0.63823 0.51636 0.50000 1.00000
Cu14 Cu 0.48364 0.12187 0.50000 1.00000
Cu15 Cu 0.87813 0.36177 0.50000 1.00000
Cu16 Cu 0.00000 0.00000 0.00000 1.00000
P1 P 0.00000 0.82056 0.00000 1.00000
P2 P 0.82056 0.00000 0.00000 1.00000
P3 P 0.17944 0.17944 0.00000 1.00000
P4 P 0.31176 0.47797 0.50000 1.00000
P5 P 0.16621 0.68824 0.50000 1.00000
P6 P 0.52203 0.83379 0.50000 1.00000
P7 P 0.83379 0.52203 0.50000 1.00000
P8 P 0.47797 0.31176 0.50000 1.00000
P9 P 0.68824 0.16621 0.50000 1.00000
P10 P 0.00000 0.37066 0.00000 1.00000
P11 P 0.37066 0.00000 0.00000 1.00000
P12 P 0.62934 0.62934 0.00000 1.00000
