Sc(BeCu2)4
Alexandria ALEXAlex-ID: agm003672025 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Sc(BeCu2)4
2022-04-20 20:51:44.235186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672025).
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 agm003672025
data_agm003672025
_cell_length_a 4.54973
_cell_length_b 6.14792
_cell_length_c 6.14792
_cell_angle_alpha 82.13058
_cell_angle_beta 68.28306
_cell_angle_gamma 68.28306
_cell_volume 148.42101
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Be1 Be 0.00000 0.00000 0.50000 1.00000
Be2 Be 0.50000 0.00000 0.50000 1.00000
Be3 Be 0.00000 0.50000 0.00000 1.00000
Be4 Be 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 1.00000 0.34676 0.65324 1.00000
Cu2 Cu 0.00000 0.65324 0.34676 1.00000
Cu3 Cu 0.34676 0.65324 0.65324 1.00000
Cu4 Cu 0.65324 0.34676 0.34676 1.00000
Cu5 Cu 0.50000 0.78114 0.21886 1.00000
Cu6 Cu 0.50000 0.21886 0.78114 1.00000
Cu7 Cu 0.28114 0.21886 0.21886 1.00000
Cu8 Cu 0.71886 0.78114 0.78114 1.00000
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