MgTePt
Alexandria ALEXAlex-ID: agm003102004 · 空间群: Ama2 (#40)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2494_spg40
MgTe Te2Pt MgPt
2015-04-10 17:28:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003102004).
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 agm003102004
data_agm003102004
_cell_length_a 5.86484
_cell_length_b 4.34717
_cell_length_c 5.86782
_cell_angle_alpha 89.99013
_cell_angle_beta 63.33658
_cell_angle_gamma 90.01184
_cell_volume 133.69382
_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
Mg1 Mg 0.33458 0.77187 0.50279 1.00000
Mg2 Mg 0.08934 0.27188 0.25734 1.00000
Te1 Te 0.83266 0.77155 0.07116 1.00000
Te2 Te 0.52074 0.27155 0.75931 1.00000
Pt1 Pt 0.04931 0.27164 0.74686 1.00000
Pt2 Pt 0.84513 0.77164 0.54213 1.00000
获取直接链接