Fe(H3Rh)2
Alexandria ALEXAlex-ID: agm097796551 · 空间群: P4mm (#99)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6_spg121
FeH3Rh2 FeH H8Rh3
2025-04-06 23:42:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097796551).
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 agm097796551
data_agm097796551
_cell_length_a 2.85230
_cell_length_b 2.85458
_cell_length_c 7.75968
_cell_angle_alpha 90.02218
_cell_angle_beta 111.08746
_cell_angle_gamma 90.00159
_cell_volume 58.94921
_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
Fe1 Fe 0.22400 0.44483 0.75565 1.00000
H1 H 0.48549 0.44420 0.01386 1.00000
H2 H 0.56223 0.44442 0.58890 1.00000
H3 H 0.06181 0.94452 0.58940 1.00000
H4 H 0.75651 0.94413 0.27594 1.00000
H5 H 0.76706 0.94416 0.79977 1.00000
H6 H 0.25492 0.44406 0.27753 1.00000
Rh1 Rh 0.98766 0.94522 0.02488 1.00000
Rh2 Rh 0.40032 0.94447 0.42406 1.00000
获取直接链接