Np2HgTe4
Alexandria ALEXAlex-ID: agm096239280 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_111_spg111
Hg NpTe2
2025-04-11 14:07:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096239280).
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 agm096239280
data_agm096239280
_cell_length_a 4.48184
_cell_length_b 7.07824
_cell_length_c 7.68630
_cell_angle_alpha 88.24440
_cell_angle_beta 89.97846
_cell_angle_gamma 89.98397
_cell_volume 243.72224
_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 0.00009 0.00043 0.99984 1.00000
Np2 Np 0.49936 0.99965 0.49998 1.00000
Hg1 Hg 0.00155 0.49985 0.00042 1.00000
Te1 Te 0.50006 0.24170 0.82337 1.00000
Te2 Te 0.99921 0.23906 0.33370 1.00000
Te3 Te 0.99940 0.76066 0.66668 1.00000
Te4 Te 0.50032 0.75864 0.17602 1.00000
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