VIr2Pt
Alexandria ALEXAlex-ID: agm005649907 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1259_spg140
VPt3 VIr3
2023-07-13 17:07:08.232986
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649907).
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 agm005649907
data_agm005649907
_cell_length_a 5.48743
_cell_length_b 5.36053
_cell_length_c 5.36053
_cell_angle_alpha 73.35608
_cell_angle_beta 59.21377
_cell_angle_gamma 59.21378
_cell_volume 116.31005
_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
V1 V 0.25000 0.20214 0.29786 1.00000
V2 V 0.75000 0.79786 0.70214 1.00000
Ir1 Ir 0.20862 0.29138 0.79138 1.00000
Ir2 Ir 0.29138 0.70862 0.20862 1.00000
Ir3 Ir 0.79138 0.70862 0.20862 1.00000
Ir4 Ir 0.70862 0.29138 0.79138 1.00000
Pt1 Pt 0.75000 0.20542 0.29458 1.00000
Pt2 Pt 0.25000 0.79458 0.70542 1.00000
获取直接链接