Na4H8Rh
Alexandria ALEXAlex-ID: agm097744481 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1970_spg1
NaH7 Na3H6Rh NaH
2025-06-21 20:31:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097744481).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097744481
data_agm097744481
_cell_length_a 3.79127
_cell_length_b 7.66926
_cell_length_c 7.79139
_cell_angle_alpha 130.33648
_cell_angle_beta 90.00435
_cell_angle_gamma 104.27510
_cell_volume 163.39645
_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 0.87571 0.98242 0.75345 1.00000
Na2 Na 0.10931 0.45001 0.25827 1.00000
Na3 Na 0.67610 0.58321 0.99422 1.00000
Na4 Na 0.94185 0.11378 0.44177 1.00000
H1 H 0.33357 0.89720 0.20964 1.00000
H2 H 0.88678 0.00431 0.07798 1.00000
H3 H 0.74369 0.71827 0.37086 1.00000
H4 H 0.47122 0.17364 0.00714 1.00000
H5 H 0.23599 0.70282 0.85724 1.00000
H6 H 0.05056 0.33202 0.82201 1.00000
H7 H 0.51852 0.26838 0.34406 1.00000
H8 H 0.27061 0.77089 0.78657 1.00000
Rh1 Rh 0.38609 0.00306 0.07677 1.00000
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