La2AlPd2Pt5
Alexandria ALEXAlex-ID: agm005132437 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
Al2Pd3Pt La3Pd2Pt7 AlPdPt La15Pt32
2022-07-14 12:09:36.557690
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005132437).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005132437
data_agm005132437
_cell_length_a 4.07106
_cell_length_b 9.65740
_cell_length_c 9.65740
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 379.68886
_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 0.67276 0.17276 1.00000
La2 La 0.00000 0.32724 0.82724 1.00000
La3 La 0.00000 0.17276 0.32724 1.00000
La4 La 0.00000 0.82724 0.67276 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.12973 0.62973 1.00000
Pd2 Pd 0.00000 0.87027 0.37027 1.00000
Pd3 Pd 0.00000 0.62973 0.87027 1.00000
Pd4 Pd 0.00000 0.37027 0.12973 1.00000
Pt1 Pt 0.50000 0.19719 0.05261 1.00000
Pt2 Pt 0.50000 0.80281 0.94739 1.00000
Pt3 Pt 0.50000 0.05261 0.80281 1.00000
Pt4 Pt 0.50000 0.69719 0.44739 1.00000
Pt5 Pt 0.50000 0.94739 0.19719 1.00000
Pt6 Pt 0.50000 0.30281 0.55261 1.00000
Pt7 Pt 0.50000 0.55261 0.69719 1.00000
Pt8 Pt 0.50000 0.44739 0.30281 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.50000 0.00000 0.50000 1.00000
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