RbH7
Alexandria ALEXAlex-ID: agm095922382 · 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
AB7_396_spg1
RbH7
2025-05-28 22:59:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095922382).
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 agm095922382
data_agm095922382
_cell_length_a 5.64438
_cell_length_b 5.06350
_cell_length_c 7.75224
_cell_angle_alpha 76.38290
_cell_angle_beta 81.01184
_cell_angle_gamma 80.68131
_cell_volume 210.87441
_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
Rb1 Rb 0.67900 0.84217 0.85043 1.00000
Rb2 Rb 0.29237 0.09077 0.35424 1.00000
H1 H 0.78185 0.13380 0.41561 1.00000
H2 H 0.43362 0.54244 0.60904 1.00000
H3 H 0.31133 0.30410 0.90847 1.00000
H4 H 0.73273 0.26896 0.35497 1.00000
H5 H 0.52590 0.59007 0.21070 1.00000
H6 H 0.36315 0.37590 0.96729 1.00000
H7 H 0.00658 0.41301 0.62348 1.00000
H8 H 0.94041 0.66359 0.19980 1.00000
H9 H 0.82079 0.27366 0.03968 1.00000
H10 H 0.17552 0.02103 0.73363 1.00000
H11 H 0.07551 0.67428 0.17754 1.00000
H12 H 0.94902 0.54776 0.56810 1.00000
H13 H 0.91817 0.21834 0.97244 1.00000
H14 H 0.49403 0.54013 0.51456 1.00000
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