Nd4Sb2N
Alexandria ALEXAlex-ID: agm003444497 · 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
AB2C4_1034_spg12
Nd5Sb3N Nd6N5 Nd5Sb3
2022-02-18 09:03:58.662271
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003444497).
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 agm003444497
data_agm003444497
_cell_length_a 4.08074
_cell_length_b 8.36373
_cell_length_c 8.22417
_cell_angle_alpha 133.85922
_cell_angle_beta 104.36476
_cell_angle_gamma 90.00000
_cell_volume 190.03403
_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 0.94309 0.21246 0.88618 1.00000
Nd2 Nd 0.05691 0.78754 0.11382 1.00000
Nd3 Nd 0.64580 0.23302 0.29159 1.00000
Nd4 Nd 0.35420 0.76698 0.70841 1.00000
Sb1 Sb 0.65645 0.63699 0.31291 1.00000
Sb2 Sb 0.34355 0.36301 0.68709 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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