UNi4TeP2
Alexandria ALEXAlex-ID: agm004772844 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_341_spg123
UNi5P3 U(Ni2P)2 UTe2 NiTe2
2022-07-19 05:10:32.869061
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004772844).
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
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# CIF generated by HEAS from Alexandria entry agm004772844
data_agm004772844
_cell_length_a 3.84457
_cell_length_b 3.84457
_cell_length_c 8.19372
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 121.10877
_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
U1 U 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.00000 0.50000 0.22108 1.00000
Ni2 Ni 0.50000 0.00000 0.77892 1.00000
Ni3 Ni 0.50000 0.00000 0.22108 1.00000
Ni4 Ni 0.00000 0.50000 0.77892 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
P1 P 0.50000 0.50000 0.35969 1.00000
P2 P 0.50000 0.50000 0.64031 1.00000
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