Na2H7Ru
Alexandria ALEXAlex-ID: agm007299349 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1965_spg2
Na3H7Ru Na2H8Ru Ru
2025-01-22 15:29:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007299349).
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 agm007299349
data_agm007299349
_cell_length_a 5.18999
_cell_length_b 5.88076
_cell_length_c 7.64723
_cell_angle_alpha 71.84583
_cell_angle_beta 88.53954
_cell_angle_gamma 62.33296
_cell_volume 194.44494
_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
Na1 Na 0.60585 0.81809 0.37434 1.00000
Na2 Na 0.81686 0.38902 0.87925 1.00000
Na3 Na 0.18314 0.61098 0.12075 1.00000
Na4 Na 0.39415 0.18191 0.62566 1.00000
H1 H 0.69563 0.52537 0.12696 1.00000
H2 H 0.91163 0.11394 0.56067 1.00000
H3 H 0.84360 0.82140 0.79736 1.00000
H4 H 0.55695 0.21947 0.32037 1.00000
H5 H 0.01103 0.40601 0.37303 1.00000
H6 H 0.60439 0.44388 0.40396 1.00000
H7 H 0.85159 0.07030 0.17505 1.00000
H8 H 0.14841 0.92970 0.82495 1.00000
H9 H 0.39561 0.55612 0.59604 1.00000
H10 H 0.98897 0.59399 0.62697 1.00000
H11 H 0.44305 0.78053 0.67963 1.00000
H12 H 0.15640 0.17860 0.20264 1.00000
H13 H 0.08837 0.88606 0.43933 1.00000
H14 H 0.30437 0.47463 0.87304 1.00000
Ru1 Ru 0.85750 0.24468 0.30995 1.00000
Ru2 Ru 0.14250 0.75532 0.69005 1.00000
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