NdPu2(GePd)2
Alexandria ALEXAlex-ID: agm004546705 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_141_spg166
NdGePd Pu5Ge3 Pu2GePd3 Pu
2022-06-22 03:44:19.189412
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004546705).
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 agm004546705
data_agm004546705
_cell_length_a 4.21877
_cell_length_b 4.21877
_cell_length_c 9.23558
_cell_angle_alpha 76.79724
_cell_angle_beta 76.79724
_cell_angle_gamma 60.00000
_cell_volume 137.31306
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.15436 0.15436 0.53692 1.00000
Pu2 Pu 0.84564 0.84564 0.46308 1.00000
Ge1 Ge 0.73673 0.73673 0.78981 1.00000
Ge2 Ge 0.26327 0.26327 0.21019 1.00000
Pd1 Pd 0.57290 0.57290 0.28131 1.00000
Pd2 Pd 0.42710 0.42710 0.71869 1.00000
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