Na7TcN3
Alexandria ALEXAlex-ID: agm005961574 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_334_spg8
Na3TcN3 Na
2023-08-13 21:47:28.351079
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961574).
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 agm005961574
data_agm005961574
_cell_length_a 6.89310
_cell_length_b 6.95988
_cell_length_c 6.92812
_cell_angle_alpha 77.96692
_cell_angle_beta 60.16710
_cell_angle_gamma 60.31691
_cell_volume 250.17883
_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
Na1 Na 0.32364 0.92129 0.43142 1.00000
Na2 Na 0.29575 0.58229 0.82621 1.00000
Na3 Na 0.84736 0.92639 0.37889 1.00000
Na4 Na 0.27842 0.08747 0.85157 1.00000
Na5 Na 0.78254 0.08747 0.85157 1.00000
Na6 Na 0.37019 0.41642 0.34086 1.00000
Na7 Na 0.87253 0.41642 0.34086 1.00000
Tc1 Tc 0.84548 0.58997 0.71907 1.00000
N1 N 0.02472 0.29660 0.65395 1.00000
N2 N 0.59657 0.72911 0.63719 1.00000
N3 N 0.03713 0.72911 0.63719 1.00000
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