Th2NpTe3
Alexandria ALEXAlex-ID: agm038043323 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_103_spg139
Th7Te12 Np2Te ThTe
2025-04-14 14:08:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038043323).
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 agm038043323
data_agm038043323
_cell_length_a 9.93974
_cell_length_b 9.93974
_cell_length_c 9.93974
_cell_angle_alpha 154.16787
_cell_angle_beta 154.16787
_cell_angle_gamma 36.85565
_cell_volume 186.19608
_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
Th1 Th 0.33080 0.33080 0.00000 1.00000
Th2 Th 0.66920 0.66920 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.16347 0.16347 0.00000 1.00000
Te3 Te 0.83653 0.83653 0.00000 1.00000
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