Pm2Pr3Pb2
Alexandria ALEXAlex-ID: agm003308680 · 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
A2B2C3_210_spg12
Pm2(PrPb)3 Pm5Pb3 Pr
2022-02-03 21:08:43.039144
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003308680).
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 agm003308680
data_agm003308680
_cell_length_a 3.61501
_cell_length_b 8.26824
_cell_length_c 9.14615
_cell_angle_alpha 118.71377
_cell_angle_beta 101.39809
_cell_angle_gamma 90.00000
_cell_volume 233.59337
_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
Pm1 Pm 0.88234 0.73469 0.76468 1.00000
Pm2 Pm 0.11766 0.26531 0.23532 1.00000
Pr1 Pr 0.00000 0.50000 0.00000 1.00000
Pr2 Pr 0.21219 0.77484 0.42438 1.00000
Pr3 Pr 0.78781 0.22516 0.57562 1.00000
Pb1 Pb 0.57829 0.89262 0.15659 1.00000
Pb2 Pb 0.42171 0.10738 0.84341 1.00000
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