W
Alexandria ALEXAlex-ID: agm005262128 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A_754_spg10
W
2023-05-10 12:36:56.211398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262128).
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 agm005262128
data_agm005262128
_cell_length_a 2.61414
_cell_length_b 9.43782
_cell_length_c 18.28722
_cell_angle_alpha 87.19588
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 450.63854
_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
W1 W 0.50000 0.50000 0.00000 1.00000
W2 W 0.50000 0.95732 0.92113 1.00000
W3 W 0.50000 0.04268 0.07887 1.00000
W4 W 0.50000 0.21626 0.39166 1.00000
W5 W 0.50000 0.78374 0.60834 1.00000
W6 W 0.50000 0.13953 0.80377 1.00000
W7 W 0.50000 0.86047 0.19623 1.00000
W8 W 0.50000 0.86809 0.76499 1.00000
W9 W 0.50000 0.13191 0.23501 1.00000
W10 W 0.50000 0.68543 0.88296 1.00000
W11 W 0.50000 0.31457 0.11704 1.00000
W12 W 0.50000 0.49110 0.42730 1.00000
W13 W 0.50000 0.50890 0.57270 1.00000
W14 W 0.50000 0.67583 0.31111 1.00000
W15 W 0.50000 0.32417 0.68889 1.00000
W16 W 0.50000 0.77179 0.03951 1.00000
W17 W 0.50000 0.22821 0.96049 1.00000
W18 W 0.50000 0.23786 0.53489 1.00000
W19 W 0.50000 0.76214 0.46511 1.00000
W20 W 0.50000 0.05185 0.64756 1.00000
W21 W 0.50000 0.94815 0.35244 1.00000
W22 W 0.50000 0.58789 0.15556 1.00000
W23 W 0.50000 0.41211 0.84444 1.00000
W24 W 0.50000 0.40151 0.27300 1.00000
W25 W 0.50000 0.59849 0.72700 1.00000
