La2Pr3P4
Alexandria ALEXAlex-ID: agm005689902 · 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_761_spg12
Pr6P5 La6P5 Pr
2023-06-27 23:05:05.029186
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689902).
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 agm005689902
data_agm005689902
_cell_length_a 4.20276
_cell_length_b 7.26585
_cell_length_c 9.42725
_cell_angle_alpha 75.16490
_cell_angle_beta 77.12028
_cell_angle_gamma 73.18914
_cell_volume 262.91863
_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 0.60417 0.18201 0.60966 1.00000
La2 La 0.39583 0.81799 0.39034 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.20608 0.40081 0.18703 1.00000
Pr3 Pr 0.79392 0.59919 0.81297 1.00000
P1 P 0.79753 0.10185 0.30309 1.00000
P2 P 0.20247 0.89815 0.69691 1.00000
P3 P 0.40007 0.30196 0.89790 1.00000
P4 P 0.59993 0.69804 0.10210 1.00000
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