La4Pr2Nd3
Alexandria ALEXAlex-ID: agm003336588 · 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_37_spg12
LaPr La2Pr La3PrNd4
2022-01-29 19:00:06.572826
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336588).
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 agm003336588
data_agm003336588
_cell_length_a 5.26479
_cell_length_b 8.29028
_cell_length_c 8.30263
_cell_angle_alpha 107.51224
_cell_angle_beta 108.48495
_cell_angle_gamma 90.00000
_cell_volume 325.92784
_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 0.55527 0.33335 0.11055 1.00000
La2 La 0.77727 0.66665 0.55453 1.00000
La3 La 0.44473 0.66665 0.88945 1.00000
La4 La 0.22273 0.33335 0.44547 1.00000
Pr1 Pr 0.33363 0.99963 0.66727 1.00000
Pr2 Pr 0.66637 0.00037 0.33273 1.00000
Nd1 Nd 0.88855 0.33204 0.77709 1.00000
Nd2 Nd 0.11145 0.66796 0.22291 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
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