TmNp2(TlSe3)2
Alexandria ALEXAlex-ID: agm033558591 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_22_spg2
Np3Se5 NpTl2Se3 TmTlSe2
2025-04-01 19:29:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033558591).
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 agm033558591
data_agm033558591
_cell_length_a 7.17646
_cell_length_b 7.17646
_cell_length_c 8.16273
_cell_angle_alpha 81.61758
_cell_angle_beta 98.38242
_cell_angle_gamma 60.03489
_cell_volume 348.39319
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.33356 0.33356 0.00000 1.00000
Np2 Np 0.66644 0.66644 0.00000 1.00000
Tl1 Tl 0.83315 0.83315 0.50000 1.00000
Tl2 Tl 0.16685 0.16685 0.50000 1.00000
Se1 Se 0.26467 0.73533 0.79940 1.00000
Se2 Se 0.60088 0.06603 0.79971 1.00000
Se3 Se 0.73533 0.26467 0.20060 1.00000
Se4 Se 0.93397 0.39912 0.79971 1.00000
Se5 Se 0.39912 0.93397 0.20029 1.00000
Se6 Se 0.06603 0.60088 0.20029 1.00000
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