Y6NiTe3Se2
Alexandria ALEXAlex-ID: agm044139700 · 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
AB2C3D6_1_spg12
Y2TeSe YNi Y6NiTe5
2025-01-26 09:25:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044139700).
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 agm044139700
data_agm044139700
_cell_length_a 7.29033
_cell_length_b 7.29033
_cell_length_c 7.42918
_cell_angle_alpha 80.54594
_cell_angle_beta 99.45406
_cell_angle_gamma 60.04487
_cell_volume 323.14626
_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
Y1 Y 0.37823 0.92959 0.21367 1.00000
Y2 Y 0.23514 0.76486 0.77774 1.00000
Y3 Y 0.62177 0.07041 0.78633 1.00000
Y4 Y 0.07041 0.62177 0.21367 1.00000
Y5 Y 0.76486 0.23514 0.22226 1.00000
Y6 Y 0.92959 0.37823 0.78633 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.17732 0.17732 0.50000 1.00000
Te2 Te 0.82268 0.82268 0.50000 1.00000
Te3 Te 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.33481 0.33481 0.00000 1.00000
Se2 Se 0.66519 0.66519 0.00000 1.00000
获取直接链接