AgH7W2
Alexandria ALEXAlex-ID: agm006200315 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_796_spg12
Ag H2 W
2023-10-15 19:43:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200315).
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 agm006200315
data_agm006200315
_cell_length_a 3.37229
_cell_length_b 3.37219
_cell_length_c 8.15419
_cell_angle_alpha 101.86884
_cell_angle_beta 78.13245
_cell_angle_gamma 120.02612
_cell_volume 77.98897
_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
H1 H 0.01846 0.80409 0.35452 1.00000
H2 H 0.92798 0.90736 0.63910 1.00000
H3 H 0.42168 0.40106 0.63909 1.00000
H4 H 0.01850 0.31038 0.35470 1.00000
H5 H 0.47323 0.85588 0.49682 1.00000
H6 H 0.52481 0.31043 0.35453 1.00000
H7 H 0.92797 0.40109 0.63892 1.00000
Ag1 Ag 0.97330 0.35562 0.99685 1.00000
W1 W 0.39718 0.93189 0.72638 1.00000
W2 W 0.54928 0.77959 0.26728 1.00000
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