La2PmPr4Mg
Alexandria ALEXAlex-ID: agm004863969 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_458_spg65
La3Pr5 Pm2Pr LaPrMg2 Pr
2023-01-26 08:06:15.452754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004863969).
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 agm004863969
data_agm004863969
_cell_length_a 6.36649
_cell_length_b 6.37519
_cell_length_c 9.63661
_cell_angle_alpha 48.55096
_cell_angle_beta 103.06482
_cell_angle_gamma 110.08969
_cell_volume 275.32927
_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 0.99998 0.00018 0.99997 1.00000
La2 La 0.49997 0.99985 0.50002 1.00000
Pm1 Pm 0.50006 0.49990 0.00001 1.00000
Pr1 Pr 0.00019 0.75364 0.74633 1.00000
Pr2 Pr 0.99985 0.24655 0.25369 1.00000
Pr3 Pr 0.49982 0.74679 0.25311 1.00000
Pr4 Pr 0.50018 0.25303 0.74689 1.00000
Mg1 Mg 0.99995 0.50005 0.49998 1.00000
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