Pm5(Pr2Sc)2
Alexandria ALEXAlex-ID: agm005643333 · 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
A2B4C5_175_spg12
Pm2Pr Pr Sc
2023-06-22 13:20:07.722438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643333).
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 agm005643333
data_agm005643333
_cell_length_a 3.54881
_cell_length_b 8.73198
_cell_length_c 12.14235
_cell_angle_alpha 94.42142
_cell_angle_beta 98.40313
_cell_angle_gamma 90.00020
_cell_volume 371.09775
_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 0.81863 0.52302 0.63727 1.00000
Pm2 Pm 0.18137 0.47698 0.36273 1.00000
Pm3 Pm 0.87080 0.96191 0.74160 1.00000
Pm4 Pm 0.50000 0.00000 0.00000 1.00000
Pm5 Pm 0.12920 0.03809 0.25840 1.00000
Pr1 Pr 0.27418 0.17681 0.54837 1.00000
Pr2 Pr 0.96134 0.65118 0.92268 1.00000
Pr3 Pr 0.72582 0.82319 0.45163 1.00000
Pr4 Pr 0.03866 0.34882 0.07732 1.00000
Sc1 Sc 0.41270 0.30217 0.82540 1.00000
Sc2 Sc 0.58730 0.69783 0.17460 1.00000
获取直接链接