Hf2CdPd4
Alexandria ALEXAlex-ID: agm003458433 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_967_spg1
Hf3Pd5 Hf(CdPd)2 HfPd3
2022-02-18 20:28:10.476572
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458433).
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 agm003458433
data_agm003458433
_cell_length_a 5.69655
_cell_length_b 7.32186
_cell_length_c 7.08855
_cell_angle_alpha 120.00504
_cell_angle_beta 86.24544
_cell_angle_gamma 103.07082
_cell_volume 249.00335
_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
Hf1 Hf 0.64386 0.41236 0.74071 1.00000
Hf2 Hf 0.72767 0.93726 0.36426 1.00000
Hf3 Hf 0.51805 0.27198 0.20088 1.00000
Hf4 Hf 0.14306 0.39786 0.69986 1.00000
Cd1 Cd 0.27510 0.71096 0.53226 1.00000
Cd2 Cd 0.02376 0.86129 0.96127 1.00000
Pd1 Pd 0.98290 0.27786 0.28827 1.00000
Pd2 Pd 0.38157 0.56425 0.11530 1.00000
Pd3 Pd 0.76379 0.65464 0.54468 1.00000
Pd4 Pd 0.80113 0.11248 0.80424 1.00000
Pd5 Pd 0.27282 0.01712 0.36288 1.00000
Pd6 Pd 0.29598 0.12919 0.81181 1.00000
Pd7 Pd 0.51821 0.83538 0.94379 1.00000
Pd8 Pd 0.90209 0.56736 0.12979 1.00000
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