La2Pr3Er2
Alexandria ALEXAlex-ID: agm003306241 · 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
A2B2C3_210_spg12
La3Pr5 Pr LaEr2
2022-02-03 17:31:04.656161
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306241).
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 agm003306241
data_agm003306241
_cell_length_a 3.57758
_cell_length_b 8.71881
_cell_length_c 9.18025
_cell_angle_alpha 118.30060
_cell_angle_beta 101.23608
_cell_angle_gamma 90.00000
_cell_volume 245.87406
_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
La1 La 0.56374 0.91308 0.12748 1.00000
La2 La 0.43626 0.08692 0.87252 1.00000
Pr1 Pr 0.00000 0.50000 0.00000 1.00000
Pr2 Pr 0.21351 0.79327 0.42702 1.00000
Pr3 Pr 0.78649 0.20673 0.57298 1.00000
Er1 Er 0.85003 0.66200 0.70005 1.00000
Er2 Er 0.14997 0.33800 0.29995 1.00000
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