Pr7In6Ge3Pd5
Alexandria ALEXAlex-ID: agm017299031 · 空间群: P-6 (#174)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6D7_1_spg174
Pr3In5 PrIn3 PrInPd Pr5In3Ge4Pd3
2025-01-13 09:07:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017299031).
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 agm017299031
data_agm017299031
_cell_length_a 11.79166
_cell_length_b 4.23083
_cell_length_c 11.79127
_cell_angle_alpha 90.00000
_cell_angle_beta 120.00112
_cell_angle_gamma 90.00000
_cell_volume 509.43318
_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 0.66666 0.00000 0.33333 1.00000
Pr2 Pr 0.96384 0.00000 0.25108 1.00000
Pr3 Pr 0.74892 0.00000 0.71277 1.00000
Pr4 Pr 0.28725 0.00000 0.03616 1.00000
Pr5 Pr 0.36357 0.00000 0.41105 1.00000
Pr6 Pr 0.58896 0.00000 0.95251 1.00000
Pr7 Pr 0.04747 0.00000 0.63643 1.00000
In1 In 0.82836 0.50000 0.97989 1.00000
In2 In 0.02012 0.50000 0.84845 1.00000
In3 In 0.15156 0.50000 0.17168 1.00000
In4 In 0.50804 0.50000 0.69222 1.00000
In5 In 0.30777 0.50000 0.81583 1.00000
In6 In 0.18415 0.50000 0.49193 1.00000
Ge1 Ge 0.90764 0.50000 0.41387 1.00000
Ge2 Ge 0.58610 0.50000 0.49376 1.00000
Ge3 Ge 0.50624 0.50000 0.09235 1.00000
Pd1 Pd 0.00002 0.00000 0.00001 1.00000
Pd2 Pd 0.33332 0.00000 0.66666 1.00000
Pd3 Pd 0.41851 0.50000 0.25080 1.00000
Pd4 Pd 0.74922 0.50000 0.16771 1.00000
Pd5 Pd 0.83229 0.50000 0.58151 1.00000
