Np3(BiN)2
Alexandria ALEXAlex-ID: agm017496942 · 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
A2B2C3_34_spg12
Np2BiN2 Np2Bi Bi
2025-04-18 19:34:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017496942).
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 agm017496942
data_agm017496942
_cell_length_a 6.48508
_cell_length_b 6.48508
_cell_length_c 7.94834
_cell_angle_alpha 59.57863
_cell_angle_beta 120.42137
_cell_angle_gamma 146.02092
_cell_volume 158.48923
_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 0.19411 0.80589 0.78137 1.00000
Np2 Np 0.80589 0.19411 0.21863 1.00000
Np3 Np 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.58197 0.41803 0.37083 1.00000
Bi2 Bi 0.41803 0.58197 0.62917 1.00000
N1 N 0.19802 0.80198 0.06921 1.00000
N2 N 0.80198 0.19802 0.93079 1.00000
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