PmYPt
Alexandria ALEXAlex-ID: agm005646291 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11133_spg14
PmYPt
2023-06-18 14:18:37.052596
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646291).
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 agm005646291
data_agm005646291
_cell_length_a 5.82349
_cell_length_b 7.09041
_cell_length_c 8.54593
_cell_angle_alpha 92.23108
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 352.60187
_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 0.35173 0.18301 0.87609 1.00000
Pm2 Pm 0.64827 0.81699 0.12391 1.00000
Pm3 Pm 0.85173 0.31699 0.62391 1.00000
Pm4 Pm 0.14827 0.68301 0.37609 1.00000
Y1 Y 0.86932 0.30726 0.12805 1.00000
Y2 Y 0.63068 0.80726 0.62805 1.00000
Y3 Y 0.13068 0.69274 0.87195 1.00000
Y4 Y 0.36932 0.19274 0.37195 1.00000
Pt1 Pt 0.34208 0.46130 0.63521 1.00000
Pt2 Pt 0.65792 0.53870 0.36479 1.00000
Pt3 Pt 0.15792 0.96130 0.13521 1.00000
Pt4 Pt 0.84208 0.03870 0.86479 1.00000
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