LaIn3Pt2
Alexandria ALEXAlex-ID: agm005865337 · 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
AB2C3_326_spg12
In2Pt LaInPt
2023-08-18 10:24:58.630449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005865337).
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 agm005865337
data_agm005865337
_cell_length_a 4.44248
_cell_length_b 9.33363
_cell_length_c 10.98506
_cell_angle_alpha 108.73831
_cell_angle_beta 90.00000
_cell_angle_gamma 103.76749
_cell_volume 417.50422
_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
La1 La 0.16160 0.32320 0.70108 1.00000
La2 La 0.83840 0.67680 0.29892 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
In1 In 0.03581 0.07162 0.34374 1.00000
In2 In 0.96419 0.92838 0.65626 1.00000
In3 In 0.21352 0.42705 0.39358 1.00000
In4 In 0.78648 0.57295 0.60642 1.00000
In5 In 0.62889 0.25779 0.19856 1.00000
In6 In 0.37111 0.74221 0.80144 1.00000
In7 In 0.50000 0.00000 0.50000 1.00000
In8 In 0.32606 0.65213 0.03869 1.00000
In9 In 0.67394 0.34788 0.96131 1.00000
Pt1 Pt 0.20594 0.41188 0.13795 1.00000
Pt2 Pt 0.79406 0.58812 0.86205 1.00000
Pt3 Pt 0.47635 0.95269 0.19824 1.00000
Pt4 Pt 0.52365 0.04731 0.80176 1.00000
Pt5 Pt 0.36332 0.72664 0.54392 1.00000
Pt6 Pt 0.63668 0.27336 0.45608 1.00000
获取直接链接