Pr8Sc2Pd
Alexandria ALEXAlex-ID: agm012433993 · 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
AB2C8_687_spg12
Sc2Pd Pr
2024-06-01 13:26:28.941808
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012433993).
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 agm012433993
data_agm012433993
_cell_length_a 5.35048
_cell_length_b 6.33477
_cell_length_c 11.63017
_cell_angle_alpha 99.61018
_cell_angle_beta 90.05677
_cell_angle_gamma 114.89095
_cell_volume 351.43845
_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
Pr1 Pr 0.64253 0.28463 0.45375 1.00000
Pr2 Pr 0.92380 0.84664 0.34953 1.00000
Pr3 Pr 0.19714 0.39445 0.23179 1.00000
Pr4 Pr 0.80285 0.60555 0.76821 1.00000
Pr5 Pr 0.07620 0.15336 0.65047 1.00000
Pr6 Pr 0.35747 0.71537 0.54625 1.00000
Pr7 Pr 0.47873 0.95774 0.14563 1.00000
Pr8 Pr 0.52127 0.04226 0.85437 1.00000
Sc1 Sc 0.21743 0.43459 0.93344 1.00000
Sc2 Sc 0.78257 0.56541 0.06656 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
获取直接链接