Pm3Al8Pt3
Alexandria ALEXAlex-ID: agm005679965 · 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
A3B3C8_0_spg71
PmAl3Pt PmAl2Pt
2023-06-29 09:20:42.206550
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679965).
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
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# CIF generated by HEAS from Alexandria entry agm005679965
data_agm005679965
_cell_length_a 4.46592
_cell_length_b 8.27434
_cell_length_c 8.33114
_cell_angle_alpha 66.72196
_cell_angle_beta 74.45316
_cell_angle_gamma 74.34371
_cell_volume 267.73429
_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 0.28665 0.72649 0.70021 1.00000
Pm2 Pm 0.71335 0.27351 0.29979 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.13213 0.15820 0.57753 1.00000
Al2 Al 0.86787 0.84180 0.42247 1.00000
Al3 Al 0.84713 0.43833 0.86741 1.00000
Al4 Al 0.15287 0.56167 0.13259 1.00000
Al5 Al 0.50660 0.66177 0.32504 1.00000
Al6 Al 0.49340 0.33823 0.67496 1.00000
Al7 Al 0.34836 0.01936 0.28391 1.00000
Al8 Al 0.65164 0.98064 0.71609 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.64926 0.70418 0.99730 1.00000
Pt3 Pt 0.35074 0.29582 0.00270 1.00000
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