Pr3Nd3Er8
Alexandria ALEXAlex-ID: agm005692255 · 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
A3B3C8_31_spg71
PrNd2 Pr(NdEr3)2 Pr
2023-06-29 11:03:09.906419
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692255).
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 agm005692255
data_agm005692255
_cell_length_a 5.68687
_cell_length_b 9.76823
_cell_length_c 9.76824
_cell_angle_alpha 102.90006
_cell_angle_beta 73.04231
_cell_angle_gamma 73.04230
_cell_volume 467.43259
_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 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 1.00000 0.81139 0.18861 1.00000
Pr3 Pr 0.00000 0.18861 0.81139 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.80395 0.19669 0.19669 1.00000
Nd3 Nd 0.19605 0.80331 0.80331 1.00000
Er1 Er 0.66225 0.11835 0.55748 1.00000
Er2 Er 0.33775 0.88165 0.44252 1.00000
Er3 Er 0.66225 0.55748 0.11835 1.00000
Er4 Er 0.33775 0.44252 0.88165 1.00000
Er5 Er 0.84013 0.76204 0.55749 1.00000
Er6 Er 0.15987 0.23796 0.44251 1.00000
Er7 Er 0.84013 0.55749 0.76204 1.00000
Er8 Er 0.15987 0.44251 0.23796 1.00000
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