Bi2PdPt3
Alexandria ALEXAlex-ID: agm035288231 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1816_spg12
PdPt4 BiPd3 BiPt
2025-04-14 05:45:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035288231).
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 agm035288231
data_agm035288231
_cell_length_a 5.61801
_cell_length_b 6.52295
_cell_length_c 7.67453
_cell_angle_alpha 94.09031
_cell_angle_beta 115.57199
_cell_angle_gamma 105.47327
_cell_volume 238.80489
_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
Bi1 Bi 0.70969 0.80365 0.03648 1.00000
Bi2 Bi 0.81171 0.20934 0.46984 1.00000
Bi3 Bi 0.29031 0.19635 0.96352 1.00000
Bi4 Bi 0.18829 0.79066 0.53016 1.00000
Pd1 Pd 0.94984 0.47040 0.17383 1.00000
Pd2 Pd 0.05016 0.52960 0.82617 1.00000
Pt1 Pt 0.54551 0.52177 0.31711 1.00000
Pt2 Pt 0.80780 0.84328 0.66067 1.00000
Pt3 Pt 0.45449 0.47823 0.68289 1.00000
Pt4 Pt 0.19220 0.15672 0.33933 1.00000
Pt5 Pt 0.33623 0.84700 0.18083 1.00000
Pt6 Pt 0.66377 0.15300 0.81917 1.00000
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