Ni2TeS
Alexandria ALEXAlex-ID: agm005706264 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1306_spg8
Ni3S2 NiTe2
2023-07-13 16:41:33.198203
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706264).
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 agm005706264
data_agm005706264
_cell_length_a 3.84591
_cell_length_b 5.75111
_cell_length_c 7.49993
_cell_angle_alpha 65.26195
_cell_angle_beta 75.16040
_cell_angle_gamma 90.01267
_cell_volume 144.54322
_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 0.25089 0.39122 0.27757 1.00000
Ni2 Ni 0.48683 0.30134 0.80390 1.00000
Ni3 Ni 0.00966 0.99066 0.75861 1.00000
Ni4 Ni 0.74259 0.03127 0.29549 1.00000
Te1 Te 0.43840 0.68466 0.90117 1.00000
Te2 Te 0.68074 0.54055 0.41789 1.00000
S1 S 0.16222 0.98402 0.45578 1.00000
S2 S 0.90775 0.17185 0.96239 1.00000
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