La2Pr6Pb
Alexandria ALEXAlex-ID: agm005708378 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1745_spg2
La4PrPb3 La3Pb Pr
2023-07-13 07:57:12.331990
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708378).
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 agm005708378
data_agm005708378
_cell_length_a 12.34814
_cell_length_b 12.34814
_cell_length_c 21.04412
_cell_angle_alpha 27.13197
_cell_angle_beta 27.13197
_cell_angle_gamma 30.38650
_cell_volume 627.69826
_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 0.75766 0.58676 0.35544 1.00000
La2 La 0.41324 0.24234 0.14456 1.00000
La3 La 0.24234 0.41324 0.64456 1.00000
La4 La 0.58676 0.75766 0.85544 1.00000
Pr1 Pr 0.59130 0.74573 0.52963 1.00000
Pr2 Pr 0.25427 0.40870 0.97037 1.00000
Pr3 Pr 0.40870 0.25427 0.47037 1.00000
Pr4 Pr 0.74573 0.59130 0.02963 1.00000
Pr5 Pr 0.77410 0.56066 0.69020 1.00000
Pr6 Pr 0.43934 0.22590 0.80980 1.00000
Pr7 Pr 0.22590 0.43934 0.30980 1.00000
Pr8 Pr 0.56066 0.77410 0.19020 1.00000
Pr9 Pr 0.90685 0.09092 0.09068 1.00000
Pr10 Pr 0.90908 0.09315 0.40932 1.00000
Pr11 Pr 0.09315 0.90908 0.90932 1.00000
Pr12 Pr 0.09092 0.90685 0.59068 1.00000
Pb1 Pb 0.07730 0.92270 0.25000 1.00000
Pb2 Pb 0.92270 0.07730 0.75000 1.00000
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