MgH6Os2Rh
Alexandria ALEXAlex-ID: agm007478287 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_698_spg1
H8Rh3 Mg2H6Os Os H2
2024-03-15 22:08:57.469317
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478287).
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 agm007478287
data_agm007478287
_cell_length_a 4.07465
_cell_length_b 4.89941
_cell_length_c 5.06428
_cell_angle_alpha 84.41031
_cell_angle_beta 112.84515
_cell_angle_gamma 112.11187
_cell_volume 86.17611
_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
Mg1 Mg 0.40368 0.56270 0.18504 1.00000
H1 H 0.47449 0.16405 0.15464 1.00000
H2 H 0.78371 0.46947 0.53195 1.00000
H3 H 0.99801 0.66555 0.86640 1.00000
H4 H 0.64701 0.10550 0.77926 1.00000
H5 H 0.26408 0.42863 0.67890 1.00000
H6 H 0.92959 0.23297 0.19020 1.00000
Os1 Os 0.80301 0.11524 0.48156 1.00000
Os2 Os 0.21576 0.78241 0.61090 1.00000
Rh1 Rh 0.98869 0.94720 0.04685 1.00000
获取直接链接