Sc2Ge2Au3
Alexandria ALEXAlex-ID: agm009108908 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_505_spg12
ScGeAu ScAu2 Ge
2024-03-07 17:34:41.207952
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009108908).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009108908
data_agm009108908
_cell_length_a 5.44488
_cell_length_b 5.44488
_cell_length_c 6.42471
_cell_angle_alpha 85.85743
_cell_angle_beta 85.85743
_cell_angle_gamma 43.85366
_cell_volume 131.56177
_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 0.62443 0.62443 0.67413 1.00000
Sc2 Sc 0.37557 0.37557 0.32587 1.00000
Ge1 Ge 0.09399 0.09399 0.36317 1.00000
Ge2 Ge 0.90601 0.90601 0.63683 1.00000
Au1 Au 0.29930 0.29930 0.85540 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.70070 0.70070 0.14460 1.00000
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