Sc3(GaPt)2
Alexandria ALEXAlex-ID: agm009538992 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_553_spg71
ScGaPt Sc3GaPt2 Sc11Ga9Pt4
2024-04-01 10:01:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009538992).
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 agm009538992
data_agm009538992
_cell_length_a 9.47600
_cell_length_b 9.47600
_cell_length_c 9.47600
_cell_angle_alpha 159.88434
_cell_angle_beta 153.78390
_cell_angle_gamma 33.26584
_cell_volume 129.16396
_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 0.50000 0.00000 0.50000 1.00000
Sc2 Sc 0.80409 0.80409 0.00000 1.00000
Sc3 Sc 0.19591 0.19591 0.00000 1.00000
Ga1 Ga 0.93248 0.43248 0.50000 1.00000
Ga2 Ga 0.06752 0.56752 0.50000 1.00000
Pt1 Pt 0.35170 0.35170 0.00000 1.00000
Pt2 Pt 0.64830 0.64830 0.00000 1.00000
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