Pr3Nd3Zn2
Alexandria ALEXAlex-ID: agm009779705 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_15_spg12
PrNd3Zn2 Pr
2024-05-03 11:10:00.753378
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009779705).
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 agm009779705
data_agm009779705
_cell_length_a 9.61715
_cell_length_b 9.61715
_cell_length_c 9.61715
_cell_angle_alpha 148.32694
_cell_angle_beta 148.31604
_cell_angle_gamma 45.41101
_cell_volume 244.51092
_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 0.85302 0.85302 0.00000 1.00000
Pr2 Pr 0.00000 0.50000 0.50000 1.00000
Pr3 Pr 0.14698 0.14698 0.00000 1.00000
Nd1 Nd 0.35204 0.35204 0.00000 1.00000
Nd2 Nd 0.64796 0.64796 0.00000 1.00000
Nd3 Nd 0.50000 0.00000 0.50000 1.00000
Zn1 Zn 0.24990 0.74990 0.50000 1.00000
Zn2 Zn 0.75010 0.25010 0.50000 1.00000
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