Pu3Sc5Tc
Alexandria ALEXAlex-ID: agm072397077 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1100_spg1
Sc3Tc Pu Sc
2024-09-24 22:01:45.638198
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072397077).
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 agm072397077
data_agm072397077
_cell_length_a 5.03233
_cell_length_b 6.09381
_cell_length_c 7.57828
_cell_angle_alpha 102.51524
_cell_angle_beta 90.00700
_cell_angle_gamma 114.38859
_cell_volume 205.57716
_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
Pu1 Pu 0.38063 0.34794 0.51547 1.00000
Pu2 Pu 0.97141 0.52923 0.43585 1.00000
Pu3 Pu 0.20114 0.98926 0.72961 1.00000
Sc1 Sc 0.67632 0.93937 0.43976 1.00000
Sc2 Sc 0.60802 0.80307 0.86419 1.00000
Sc3 Sc 0.42381 0.43426 0.11596 1.00000
Sc4 Sc 0.89448 0.37575 0.82806 1.00000
Sc5 Sc 0.14422 0.87528 0.14753 1.00000
Tc1 Tc 0.79878 0.18438 0.15153 1.00000
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