Pr3Zn3Pd8
Alexandria ALEXAlex-ID: agm005688099 · 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
A3B3C8_0_spg71
Pr6Zn4Pd13 Pr4ZnPd12 ZnPd
2023-06-29 11:39:41.129702
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688099).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005688099
data_agm005688099
_cell_length_a 4.48459
_cell_length_b 8.24387
_cell_length_c 8.35047
_cell_angle_alpha 66.70933
_cell_angle_beta 74.42360
_cell_angle_gamma 74.21698
_cell_volume 268.30831
_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
Pr1 Pr 0.30018 0.72096 0.67867 1.00000
Pr2 Pr 0.69982 0.27904 0.32133 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.67153 0.66654 0.99040 1.00000
Zn3 Zn 0.32847 0.33346 0.00960 1.00000
Pd1 Pd 0.12425 0.15612 0.59539 1.00000
Pd2 Pd 0.87575 0.84388 0.40461 1.00000
Pd3 Pd 0.87103 0.41446 0.84349 1.00000
Pd4 Pd 0.12897 0.58554 0.15651 1.00000
Pd5 Pd 0.50358 0.67407 0.31876 1.00000
Pd6 Pd 0.49642 0.32593 0.68124 1.00000
Pd7 Pd 0.34045 0.04403 0.27508 1.00000
Pd8 Pd 0.65955 0.95597 0.72492 1.00000
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