Sm3Ga3Cu2Pt
Alexandria ALEXAlex-ID: agm034104374 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_12_spg6
SmGaPt SmGaCu
2025-03-02 10:55:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034104374).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm034104374
data_agm034104374
_cell_length_a 7.21855
_cell_length_b 4.45188
_cell_length_c 22.68836
_cell_angle_alpha 90.00000
_cell_angle_beta 90.48872
_cell_angle_gamma 90.00000
_cell_volume 729.08922
_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
Sm1 Sm 0.51414 0.00000 0.93311 1.00000
Sm2 Sm 0.50975 0.00000 0.59735 1.00000
Sm3 Sm 0.51037 0.00000 0.26417 1.00000
Sm4 Sm 0.01540 0.00000 0.90221 1.00000
Sm5 Sm 0.01005 0.00000 0.56795 1.00000
Sm6 Sm 0.01283 0.00000 0.23678 1.00000
Sm7 Sm 0.49314 0.50000 0.73540 1.00000
Sm8 Sm 0.49816 0.50000 0.40166 1.00000
Sm9 Sm 0.49773 0.50000 0.06917 1.00000
Sm10 Sm 0.99265 0.50000 0.76414 1.00000
Sm11 Sm 0.98913 0.50000 0.43022 1.00000
Sm12 Sm 0.99003 0.50000 0.09884 1.00000
Ga1 Ga 0.68892 0.00000 0.80840 1.00000
Ga2 Ga 0.69118 0.00000 0.47353 1.00000
Ga3 Ga 0.69437 0.00000 0.14076 1.00000
Ga4 Ga 0.18813 0.00000 0.69153 1.00000
Ga5 Ga 0.19420 0.00000 0.36135 1.00000
Ga6 Ga 0.19388 0.00000 0.02864 1.00000
Ga7 Ga 0.31787 0.50000 0.86365 1.00000
Ga8 Ga 0.30972 0.50000 0.52712 1.00000
Ga9 Ga 0.31054 0.50000 0.19502 1.00000
Ga10 Ga 0.81812 0.50000 0.97029 1.00000
Ga11 Ga 0.81486 0.50000 0.63620 1.00000
Ga12 Ga 0.81412 0.50000 0.30237 1.00000
Cu1 Cu 0.29869 0.00000 0.47119 1.00000
Cu2 Cu 0.29889 0.00000 0.13898 1.00000
Cu3 Cu 0.20270 0.50000 0.97244 1.00000
Cu4 Cu 0.19968 0.50000 0.63620 1.00000
Cu5 Cu 0.20236 0.50000 0.30485 1.00000
Cu6 Cu 0.69949 0.50000 0.86255 1.00000
Cu7 Cu 0.69344 0.50000 0.52809 1.00000
Cu8 Cu 0.69118 0.50000 0.19509 1.00000
Pt1 Pt 0.78057 0.00000 0.69588 1.00000
Pt2 Pt 0.78842 0.00000 0.36168 1.00000
Pt3 Pt 0.79242 0.00000 0.02942 1.00000
Pt4 Pt 0.28290 0.00000 0.80378 1.00000
