La5Pd2Pt5
Alexandria ALEXAlex-ID: agm005665608 · 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
A2B5C5_26_spg12
La3Pt5 LaPd3 LaPt
2023-06-19 05:05:35.060471
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665608).
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 agm005665608
data_agm005665608
_cell_length_a 4.09824
_cell_length_b 8.09375
_cell_length_c 9.28372
_cell_angle_alpha 91.41185
_cell_angle_beta 77.24860
_cell_angle_gamma 75.33462
_cell_volume 289.50241
_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 0.00000 0.50000 0.50000 1.00000
La2 La 0.68529 0.71356 0.91587 1.00000
La3 La 0.37362 0.93068 0.32207 1.00000
La4 La 0.62638 0.06932 0.67793 1.00000
La5 La 0.31471 0.28644 0.08413 1.00000
Pd1 Pd 0.38594 0.47848 0.74963 1.00000
Pd2 Pd 0.61406 0.52152 0.25037 1.00000
Pt1 Pt 0.70618 0.21180 0.37585 1.00000
Pt2 Pt 0.93507 0.28670 0.84316 1.00000
Pt3 Pt 0.06493 0.71330 0.15684 1.00000
Pt4 Pt 0.29382 0.78820 0.62415 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
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