Tb2NpGeN5
Alexandria ALEXAlex-ID: agm005149733 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_216_spg36
Tb2NpN4 Ge Ge3N4
2023-01-16 18:54:35.954723
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149733).
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 agm005149733
data_agm005149733
_cell_length_a 3.33136
_cell_length_b 7.21010
_cell_length_c 10.21482
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.35714
_cell_volume 238.71701
_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
Tb1 Tb 0.87172 0.74343 0.78990 1.00000
Tb2 Tb 0.11196 0.22392 0.69933 1.00000
Tb3 Tb 0.12828 0.25656 0.28990 1.00000
Tb4 Tb 0.88804 0.77608 0.19933 1.00000
Np1 Np 0.78617 0.57233 0.50450 1.00000
Np2 Np 0.21383 0.42767 0.00450 1.00000
Ge1 Ge 0.50595 0.01189 0.97080 1.00000
Ge2 Ge 0.49405 0.98811 0.47080 1.00000
N1 N 0.37266 0.74533 0.01022 1.00000
N2 N 0.69984 0.39967 0.86612 1.00000
N3 N 0.49809 0.99618 0.78826 1.00000
N4 N 0.28694 0.57388 0.64590 1.00000
N5 N 0.95024 0.90047 0.54894 1.00000
N6 N 0.62734 0.25467 0.51022 1.00000
N7 N 0.30016 0.60033 0.36612 1.00000
N8 N 0.50191 0.00382 0.28826 1.00000
N9 N 0.71306 0.42612 0.14590 1.00000
N10 N 0.04976 0.09953 0.04894 1.00000
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