Pm6Pr5Sc2
Alexandria ALEXAlex-ID: agm005657328 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_76_spg55
Pm2Pr Pr Sc
2023-06-20 19:10:58.986510
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657328).
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 agm005657328
data_agm005657328
_cell_length_a 3.55381
_cell_length_b 10.94378
_cell_length_c 22.83128
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 887.95749
_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 0.00000 0.14009 0.38200 1.00000
Pm2 Pm 0.00000 0.85991 0.61800 1.00000
Pm3 Pm 0.00000 0.64009 0.11800 1.00000
Pm4 Pm 0.00000 0.35991 0.88200 1.00000
Pm5 Pm 0.50000 0.33591 0.13965 1.00000
Pm6 Pm 0.50000 0.66409 0.86035 1.00000
Pm7 Pm 0.50000 0.83591 0.36035 1.00000
Pm8 Pm 0.50000 0.16409 0.63965 1.00000
Pm9 Pm 0.00000 0.53005 0.38650 1.00000
Pm10 Pm 0.00000 0.46995 0.61350 1.00000
Pm11 Pm 0.00000 0.03005 0.11350 1.00000
Pm12 Pm 0.00000 0.96995 0.88650 1.00000
Pr1 Pr 0.50000 0.33288 0.49297 1.00000
Pr2 Pr 0.50000 0.66712 0.50703 1.00000
Pr3 Pr 0.50000 0.83288 0.00703 1.00000
Pr4 Pr 0.50000 0.16712 0.99297 1.00000
Pr5 Pr 0.50000 0.58736 0.25225 1.00000
Pr6 Pr 0.50000 0.41264 0.74775 1.00000
Pr7 Pr 0.50000 0.08736 0.24775 1.00000
Pr8 Pr 0.50000 0.91264 0.75225 1.00000
Pr9 Pr 0.50000 0.50000 0.00000 1.00000
Pr10 Pr 0.50000 0.00000 0.50000 1.00000
Sc1 Sc 0.00000 0.33681 0.27033 1.00000
Sc2 Sc 0.00000 0.66319 0.72967 1.00000
Sc3 Sc 0.00000 0.83681 0.22967 1.00000
Sc4 Sc 0.00000 0.16319 0.77033 1.00000
