Sc3Ga3Ni2Au
Alexandria ALEXAlex-ID: agm040404889 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
Sc3Ga3Ni2Au
2024-12-23 15:25:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040404889).
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 agm040404889
data_agm040404889
_cell_length_a 6.35129
_cell_length_b 4.27828
_cell_length_c 22.34670
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99703
_cell_angle_gamma 90.00000
_cell_volume 607.21733
_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 0.50176 0.00000 0.92872 1.00000
Sc2 Sc 0.50193 0.00000 0.59022 1.00000
Sc3 Sc 0.50165 0.00000 0.26028 1.00000
Sc4 Sc 0.00602 0.00000 0.91039 1.00000
Sc5 Sc 0.01269 0.00000 0.56586 1.00000
Sc6 Sc 0.01542 0.00000 0.23650 1.00000
Sc7 Sc 0.48947 0.50000 0.73620 1.00000
Sc8 Sc 0.48560 0.50000 0.40534 1.00000
Sc9 Sc 0.48492 0.50000 0.07627 1.00000
Sc10 Sc 0.98902 0.50000 0.76139 1.00000
Sc11 Sc 0.99694 0.50000 0.43069 1.00000
Sc12 Sc 0.99633 0.50000 0.09985 1.00000
Ga1 Ga 0.71096 0.00000 0.81154 1.00000
Ga2 Ga 0.69006 0.00000 0.47568 1.00000
Ga3 Ga 0.69283 0.00000 0.14551 1.00000
Ga4 Ga 0.20808 0.00000 0.68664 1.00000
Ga5 Ga 0.21283 0.00000 0.36004 1.00000
Ga6 Ga 0.21480 0.00000 0.03026 1.00000
Ga7 Ga 0.29891 0.50000 0.86736 1.00000
Ga8 Ga 0.30251 0.50000 0.52549 1.00000
Ga9 Ga 0.30197 0.50000 0.19552 1.00000
Ga10 Ga 0.79775 0.50000 0.96892 1.00000
Ga11 Ga 0.80825 0.50000 0.63118 1.00000
Ga12 Ga 0.81087 0.50000 0.29998 1.00000
Ni1 Ni 0.27368 0.00000 0.46987 1.00000
Ni2 Ni 0.27534 0.00000 0.13986 1.00000
Ni3 Ni 0.22287 0.50000 0.97407 1.00000
Ni4 Ni 0.22877 0.50000 0.63418 1.00000
Ni5 Ni 0.22939 0.50000 0.30401 1.00000
Ni6 Ni 0.72067 0.50000 0.86278 1.00000
Ni7 Ni 0.72116 0.50000 0.52632 1.00000
Ni8 Ni 0.72145 0.50000 0.19548 1.00000
Au1 Au 0.76792 0.00000 0.69534 1.00000
Au2 Au 0.77278 0.00000 0.36291 1.00000
Au3 Au 0.76919 0.00000 0.03224 1.00000
Au4 Au 0.26522 0.00000 0.80312 1.00000
