Tm2Pd2Pt3
Alexandria ALEXAlex-ID: agm009648656 · 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
A2B2C3_23_spg12
Tm2PdPt5 Tm3Pt5 Tm2Pd5Pt
2024-03-31 14:20:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009648656).
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 agm009648656
data_agm009648656
_cell_length_a 5.10272
_cell_length_b 5.10272
_cell_length_c 6.53604
_cell_angle_alpha 82.74405
_cell_angle_beta 82.74405
_cell_angle_gamma 48.21779
_cell_volume 125.68231
_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
Tm1 Tm 0.42028 0.42028 0.23849 1.00000
Tm2 Tm 0.57972 0.57972 0.76151 1.00000
Pd1 Pd 0.14240 0.14240 0.07640 1.00000
Pd2 Pd 0.85760 0.85760 0.92360 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Pt2 Pt 0.28366 0.28366 0.65187 1.00000
Pt3 Pt 0.71634 0.71634 0.34813 1.00000
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