NaH7Ru2
Alexandria ALEXAlex-ID: agm006196008 · 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
AB2C7_444_spg65
H8Ru3 Na2H7Ru Ru
2024-02-07 14:06:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196008).
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
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# CIF generated by HEAS from Alexandria entry agm006196008
data_agm006196008
_cell_length_a 6.34853
_cell_length_b 5.38235
_cell_length_c 5.46168
_cell_angle_alpha 123.54288
_cell_angle_beta 30.32068
_cell_angle_gamma 118.57760
_cell_volume 78.52602
_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 0.97309 0.05977 0.28214 1.00000
H2 H 0.97325 0.65131 0.71126 1.00000
H3 H 0.47352 0.65948 0.77202 1.00000
H4 H 0.47046 0.41118 0.19214 1.00000
H5 H 0.47346 0.85611 0.49668 1.00000
H6 H 0.47306 0.05204 0.22151 1.00000
H7 H 0.47592 0.30042 0.80171 1.00000
Na1 Na 0.97327 0.35551 0.99696 1.00000
Ru1 Ru 0.47177 0.02676 0.87901 1.00000
Ru2 Ru 0.47459 0.68481 0.11473 1.00000
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