Ni2Te4Au
Alexandria ALEXAlex-ID: agm096234853 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_111_spg111
NiTe2 Au
2025-04-11 09:57:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096234853).
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}
}
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# CIF generated by HEAS from Alexandria entry agm096234853
data_agm096234853
_cell_length_a 3.98261
_cell_length_b 5.54200
_cell_length_c 7.28213
_cell_angle_alpha 86.03436
_cell_angle_beta 90.00334
_cell_angle_gamma 90.00221
_cell_volume 160.34349
_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 0.99994 0.96908 0.96858 1.00000
Ni2 Ni 0.50012 0.01285 0.49339 1.00000
Te1 Te 0.49998 0.19629 0.81628 1.00000
Te2 Te 0.00018 0.28492 0.38668 1.00000
Te3 Te 0.00004 0.75495 0.64164 1.00000
Te4 Te 0.49992 0.81172 0.17561 1.00000
Au1 Au 0.99982 0.47019 0.01782 1.00000
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