La2Pr3Er4
Alexandria ALEXAlex-ID: agm025906255 · 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
A2B3C4_9_spg12
Pr LaEr2
2025-02-07 08:28:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025906255).
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 agm025906255
data_agm025906255
_cell_length_a 9.66513
_cell_length_b 9.66513
_cell_length_c 9.70840
_cell_angle_alpha 64.72329
_cell_angle_beta 115.27671
_cell_angle_gamma 158.13666
_cell_volume 304.11919
_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 0.33391 0.66609 0.99731 1.00000
La2 La 0.66609 0.33391 0.00269 1.00000
Pr1 Pr 0.85259 0.14741 0.33705 1.00000
Pr2 Pr 0.14741 0.85259 0.66295 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.81510 0.18490 0.66067 1.00000
Er2 Er 0.18490 0.81510 0.33933 1.00000
Er3 Er 0.52017 0.47983 0.33419 1.00000
Er4 Er 0.47983 0.52017 0.66581 1.00000
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