ZrScPt2
Alexandria ALEXAlex-ID: agm005688730 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_3898_spg63
ScPt ZrPt
2023-07-14 17:46:01.424475
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688730).
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 agm005688730
data_agm005688730
_cell_length_a 3.54148
_cell_length_b 4.35719
_cell_length_c 9.85197
_cell_angle_alpha 89.96956
_cell_angle_beta 100.36893
_cell_angle_gamma 89.99996
_cell_volume 149.54206
_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
Zr1 Zr 0.30838 0.24988 0.61619 1.00000
Zr2 Zr 0.69161 0.75011 0.38381 1.00000
Sc1 Sc 0.55743 0.25041 0.11584 1.00000
Sc2 Sc 0.44257 0.74957 0.88416 1.00000
Pt1 Pt 0.83273 0.74981 0.66451 1.00000
Pt2 Pt 0.16727 0.25017 0.33549 1.00000
Pt3 Pt 0.06007 0.75064 0.12098 1.00000
Pt4 Pt 0.93993 0.24935 0.87902 1.00000
获取直接链接