PuZr2Sc5
Alexandria ALEXAlex-ID: agm005845985 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1100_spg71
ZrSc2 Pu Sc
2023-09-10 17:09:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005845985).
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 agm005845985
data_agm005845985
_cell_length_a 3.07708
_cell_length_b 6.24527
_cell_length_c 10.59695
_cell_angle_alpha 107.16091
_cell_angle_beta 98.34539
_cell_angle_gamma 89.93104
_cell_volume 192.33062
_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 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.23922 0.73955 0.47897 1.00000
Zr2 Zr 0.76078 0.26045 0.52103 1.00000
Sc1 Sc 0.00000 0.50000 0.00000 1.00000
Sc2 Sc 0.62281 0.37904 0.24527 1.00000
Sc3 Sc 0.37719 0.62096 0.75473 1.00000
Sc4 Sc 0.62230 0.86612 0.24528 1.00000
Sc5 Sc 0.37770 0.13388 0.75472 1.00000
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