NdTh2NpBi4
Alexandria ALEXAlex-ID: agm014306295 · 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
ABC2D4_41_spg42
Nd5ThBi6 Th3Bi4 Np Np2Bi
2025-02-07 10:40:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014306295).
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 agm014306295
data_agm014306295
_cell_length_a 7.94050
_cell_length_b 7.94050
_cell_length_c 7.94050
_cell_angle_alpha 131.78650
_cell_angle_beta 131.78650
_cell_angle_gamma 70.56644
_cell_volume 272.71564
_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
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.75000 0.25000 0.50000 1.00000
Th2 Th 0.25000 0.75000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50000 0.00000 0.50000 1.00000
Bi2 Bi 0.00000 0.50000 0.50000 1.00000
Bi3 Bi 0.24798 0.24798 0.00000 1.00000
Bi4 Bi 0.75202 0.75202 0.00000 1.00000
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