Ni3(Ir2W)2
Alexandria ALEXAlex-ID: agm005654534 · 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
A2B3C4_1067_spg12
Ir3W Ni2IrW Ni
2023-06-27 17:51:35.862885
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654534).
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 agm005654534
data_agm005654534
_cell_length_a 3.81775
_cell_length_b 4.65392
_cell_length_c 8.07148
_cell_angle_alpha 71.99658
_cell_angle_beta 76.32018
_cell_angle_gamma 65.78484
_cell_volume 123.38836
_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
Ni1 Ni 0.33083 0.78562 0.55273 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.66917 0.21438 0.44727 1.00000
Ir1 Ir 0.66177 0.56386 0.11260 1.00000
Ir2 Ir 0.00483 0.32884 0.66150 1.00000
Ir3 Ir 0.99517 0.67116 0.33850 1.00000
Ir4 Ir 0.33823 0.43614 0.88740 1.00000
W1 W 0.33070 0.11370 0.22490 1.00000
W2 W 0.66930 0.88630 0.77510 1.00000
获取直接链接