YEr(WN3)2
Alexandria ALEXAlex-ID: agm004977445 · 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_91_spg15
YEr(WN3)2
2022-07-29 03:13:18.022865
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977445).
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 agm004977445
data_agm004977445
_cell_length_a 6.30515
_cell_length_b 7.40042
_cell_length_c 7.40042
_cell_angle_alpha 81.01883
_cell_angle_beta 72.86698
_cell_angle_gamma 72.86698
_cell_volume 314.43164
_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
Y1 Y 0.25000 0.90855 0.09145 1.00000
Y2 Y 0.75000 0.09145 0.90855 1.00000
Er1 Er 0.25000 0.28486 0.71514 1.00000
Er2 Er 0.75000 0.71514 0.28486 1.00000
W1 W 0.28253 0.79781 0.62076 1.00000
W2 W 0.21747 0.37924 0.20219 1.00000
W3 W 0.71747 0.20219 0.37924 1.00000
W4 W 0.78253 0.62076 0.79781 1.00000
N1 N 0.15794 0.99840 0.77985 1.00000
N2 N 0.34206 0.22015 0.00160 1.00000
N3 N 0.84206 0.00160 0.22015 1.00000
N4 N 0.65794 0.77985 0.99840 1.00000
N5 N 0.34145 0.88316 0.37431 1.00000
N6 N 0.15855 0.62569 0.11684 1.00000
N7 N 0.65855 0.11684 0.62569 1.00000
N8 N 0.84145 0.37431 0.88316 1.00000
N9 N 0.08600 0.62785 0.66329 1.00000
N10 N 0.41400 0.33671 0.37215 1.00000
N11 N 0.91400 0.37215 0.33671 1.00000
N12 N 0.58600 0.66329 0.62785 1.00000
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