TbTm(WN3)2
Alexandria ALEXAlex-ID: agm014165973 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_13_spg15
TbTm(WN3)2
2024-09-14 04:56:53.698556
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014165973).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm014165973
data_agm014165973
_cell_length_a 7.41622
_cell_length_b 7.41622
_cell_length_c 6.31819
_cell_angle_alpha 72.55843
_cell_angle_beta 72.55843
_cell_angle_gamma 80.84494
_cell_volume 315.36568
_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 0.90731 0.09269 0.75000 1.00000
Tb2 Tb 0.09269 0.90731 0.25000 1.00000
Tm1 Tm 0.28336 0.71664 0.75000 1.00000
Tm2 Tm 0.71664 0.28336 0.25000 1.00000
W1 W 0.79707 0.62116 0.78720 1.00000
W2 W 0.37884 0.20293 0.71280 1.00000
W3 W 0.20293 0.37884 0.21280 1.00000
W4 W 0.62116 0.79707 0.28720 1.00000
N1 N 0.99855 0.77881 0.65984 1.00000
N2 N 0.22119 0.00145 0.84016 1.00000
N3 N 0.00145 0.22119 0.34016 1.00000
N4 N 0.77881 0.99855 0.15984 1.00000
N5 N 0.88086 0.37429 0.84361 1.00000
N6 N 0.62571 0.11914 0.65639 1.00000
N7 N 0.11914 0.62571 0.15639 1.00000
N8 N 0.37429 0.88086 0.34361 1.00000
N9 N 0.62546 0.66698 0.59308 1.00000
N10 N 0.33302 0.37454 0.90692 1.00000
N11 N 0.37454 0.33302 0.40692 1.00000
N12 N 0.66698 0.62546 0.09308 1.00000
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