PmTmPt
Alexandria ALEXAlex-ID: agm005668129 · 空间群: Pbca (#61)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_258_spg61
PmTm3Pt2 Pm2Tm3Pt4 Pm7Pt3
2023-06-18 06:34:33.493937
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668129).
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 agm005668129
data_agm005668129
_cell_length_a 6.85243
_cell_length_b 7.13056
_cell_length_c 13.37530
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 653.53938
_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
Pm1 Pm 0.79915 0.39722 0.80274 1.00000
Pm2 Pm 0.20085 0.60278 0.19726 1.00000
Pm3 Pm 0.70085 0.89722 0.19726 1.00000
Pm4 Pm 0.20085 0.10278 0.30274 1.00000
Pm5 Pm 0.29915 0.10278 0.80274 1.00000
Pm6 Pm 0.79915 0.89722 0.69726 1.00000
Pm7 Pm 0.29915 0.60278 0.69726 1.00000
Pm8 Pm 0.70085 0.39722 0.30274 1.00000
Tm1 Tm 0.00300 0.26085 0.53060 1.00000
Tm2 Tm 0.99700 0.73915 0.46940 1.00000
Tm3 Tm 0.49700 0.76085 0.46940 1.00000
Tm4 Tm 0.99700 0.23915 0.03060 1.00000
Tm5 Tm 0.50300 0.23915 0.53060 1.00000
Tm6 Tm 0.00300 0.76085 0.96940 1.00000
Tm7 Tm 0.50300 0.73915 0.96940 1.00000
Tm8 Tm 0.49700 0.26085 0.03060 1.00000
Pt1 Pt 0.72773 0.03974 0.89910 1.00000
Pt2 Pt 0.27227 0.96026 0.10090 1.00000
Pt3 Pt 0.77227 0.53974 0.10090 1.00000
Pt4 Pt 0.27227 0.46026 0.39910 1.00000
Pt5 Pt 0.22773 0.46026 0.89910 1.00000
Pt6 Pt 0.72773 0.53974 0.60090 1.00000
Pt7 Pt 0.22773 0.96026 0.60090 1.00000
Pt8 Pt 0.77227 0.03974 0.39910 1.00000
