W
Alexandria ALEXAlex-ID: agm005246568 · 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_366_spg10
W
2023-05-08 15:20:56.654465
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246568).
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 agm005246568
data_agm005246568
_cell_length_a 2.60705
_cell_length_b 9.48311
_cell_length_c 14.89369
_cell_angle_alpha 79.28074
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 361.79052
_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 0.64368 0.97675 1.00000
W2 W 0.50000 0.35632 0.02325 1.00000
W3 W 0.50000 0.93238 0.92870 1.00000
W4 W 0.50000 0.06762 0.07130 1.00000
W5 W 0.50000 0.22446 0.87684 1.00000
W6 W 0.50000 0.77554 0.12316 1.00000
W7 W 0.50000 0.51213 0.82824 1.00000
W8 W 0.50000 0.48787 0.17176 1.00000
W9 W 0.50000 0.79869 0.78238 1.00000
W10 W 0.50000 0.20131 0.21762 1.00000
W11 W 0.50000 0.09049 0.73511 1.00000
W12 W 0.50000 0.90951 0.26489 1.00000
W13 W 0.50000 0.38090 0.68191 1.00000
W14 W 0.50000 0.61910 0.31809 1.00000
W15 W 0.50000 0.66442 0.63439 1.00000
W16 W 0.50000 0.33558 0.36561 1.00000
W17 W 0.50000 0.95303 0.59129 1.00000
W18 W 0.50000 0.04697 0.40871 1.00000
W19 W 0.50000 0.24166 0.54430 1.00000
W20 W 0.50000 0.75834 0.45570 1.00000
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