InNiTe
Alexandria ALEXAlex-ID: agm005698265 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11049_spg1
Ni3Te2 InNi InTe
2023-06-18 00:52:06.155179
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698265).
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 agm005698265
data_agm005698265
_cell_length_a 5.05043
_cell_length_b 9.05500
_cell_length_c 4.44480
_cell_angle_alpha 72.87921
_cell_angle_beta 82.61842
_cell_angle_gamma 46.84942
_cell_volume 140.94841
_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
In1 In 0.04428 0.55751 0.71794 1.00000
In2 In 0.74874 0.24859 0.21439 1.00000
Ni1 Ni 0.66992 0.45982 0.61404 1.00000
Ni2 Ni 0.34902 0.85231 0.59039 1.00000
Te1 Te 0.22737 0.77875 0.15306 1.00000
Te2 Te 0.33547 0.12926 0.63440 1.00000
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