Pu2Cr3PdN6
Alexandria ALEXAlex-ID: agm040582950 · 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
AB2C3D6_42_spg12
PuPd8 Pu3(CrN3)2 Pu3CrN6 CrN
2024-08-14 18:27:18.560446
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040582950).
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 agm040582950
data_agm040582950
_cell_length_a 5.44472
_cell_length_b 5.44472
_cell_length_c 5.52609
_cell_angle_alpha 80.79571
_cell_angle_beta 80.79571
_cell_angle_gamma 119.93014
_cell_volume 134.52802
_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
Pu1 Pu 0.66694 0.33306 0.00000 1.00000
Pu2 Pu 0.33306 0.66694 0.00000 1.00000
Cr1 Cr 0.84106 0.15894 0.50000 1.00000
Cr2 Cr 0.15894 0.84106 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
N1 N 0.55383 0.90113 0.28984 1.00000
N2 N 0.75327 0.75327 0.70510 1.00000
N3 N 0.44617 0.09887 0.71016 1.00000
N4 N 0.90113 0.55383 0.28984 1.00000
N5 N 0.24673 0.24673 0.29490 1.00000
N6 N 0.09887 0.44617 0.71016 1.00000
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