Ac3Pr5Nd4
Alexandria ALEXAlex-ID: agm005697337 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_180_spg2
PrNd2 Ac Pr
2023-06-29 15:57:45.134862
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697337).
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 agm005697337
data_agm005697337
_cell_length_a 7.60824
_cell_length_b 10.07487
_cell_length_c 20.87662
_cell_angle_alpha 153.65907
_cell_angle_beta 43.18575
_cell_angle_gamma 139.08538
_cell_volume 457.55027
_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
Ac1 Ac 0.75146 0.49920 0.49969 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
Ac3 Ac 0.24854 0.50080 0.50031 1.00000
Pr1 Pr 0.71600 0.88687 0.83535 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.97219 0.39438 0.83723 1.00000
Pr4 Pr 0.02781 0.60562 0.16277 1.00000
Pr5 Pr 0.28400 0.11313 0.16465 1.00000
Nd1 Nd 0.22075 0.89766 0.83838 1.00000
Nd2 Nd 0.46817 0.39384 0.83669 1.00000
Nd3 Nd 0.53183 0.60616 0.16331 1.00000
Nd4 Nd 0.77925 0.10234 0.16162 1.00000
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