Np3TeP2
Alexandria ALEXAlex-ID: agm034226277 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_124_spg63
Np3Te4 Np2P NpP
2025-04-14 05:53:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034226277).
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 agm034226277
data_agm034226277
_cell_length_a 7.16095
_cell_length_b 7.16095
_cell_length_c 7.09651
_cell_angle_alpha 80.28559
_cell_angle_beta 99.71441
_cell_angle_gamma 59.36689
_cell_volume 294.38172
_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
Np1 Np 0.12005 0.69145 0.49102 1.00000
Np2 Np 0.30855 0.87995 0.99102 1.00000
Np3 Np 0.50000 0.00000 0.50000 1.00000
Np4 Np 0.87995 0.30855 0.50898 1.00000
Np5 Np 0.00000 0.50000 0.00000 1.00000
Np6 Np 0.69145 0.12005 0.00898 1.00000
Te1 Te 0.57244 0.57244 0.75000 1.00000
Te2 Te 0.42756 0.42756 0.25000 1.00000
P1 P 0.91442 0.91442 0.75000 1.00000
P2 P 0.26242 0.26242 0.75000 1.00000
P3 P 0.08558 0.08558 0.25000 1.00000
P4 P 0.73758 0.73758 0.25000 1.00000
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