BeH6Rh
Alexandria ALEXAlex-ID: agm090035658 · 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
ABC6_1992_spg1
H2 BeRh
2025-05-28 02:53:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090035658).
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 agm090035658
data_agm090035658
_cell_length_a 7.36119
_cell_length_b 6.90045
_cell_length_c 6.38172
_cell_angle_alpha 90.43400
_cell_angle_beta 104.10421
_cell_angle_gamma 76.80574
_cell_volume 305.69466
_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
Be1 Be 0.11876 0.58758 0.65076 1.00000
Be2 Be 0.83252 0.92984 0.14952 1.00000
Be3 Be 0.67671 0.02320 0.65030 1.00000
Be4 Be 0.33403 0.40805 0.40982 1.00000
H1 H 0.87188 0.75170 0.32263 1.00000
H2 H 0.06158 0.62048 0.02892 1.00000
H3 H 0.84354 0.15560 0.20779 1.00000
H4 H 0.28764 0.50454 0.84888 1.00000
H5 H 0.22302 0.16133 0.84505 1.00000
H6 H 0.30335 0.16289 0.96300 1.00000
H7 H 0.59479 0.28646 0.97502 1.00000
H8 H 0.68951 0.84160 0.96918 1.00000
H9 H 0.89203 0.96961 0.77540 1.00000
H10 H 0.23036 0.26640 0.55263 1.00000
H11 H 0.60166 0.99128 0.21240 1.00000
H12 H 0.07273 0.92514 0.22551 1.00000
H13 H 0.16728 0.76607 0.54030 1.00000
H14 H 0.33032 0.61717 0.30211 1.00000
H15 H 0.39668 0.24390 0.26813 1.00000
H16 H 0.48120 0.05876 0.69780 1.00000
H17 H 0.60259 0.47724 0.28082 1.00000
H18 H 0.71972 0.43261 0.29103 1.00000
H19 H 0.77744 0.54530 0.89075 1.00000
H20 H 0.66160 0.78327 0.62806 1.00000
H21 H 0.74309 0.15102 0.49787 1.00000
H22 H 0.93396 0.56148 0.68180 1.00000
H23 H 0.50211 0.40369 0.65322 1.00000
H24 H 0.09529 0.45121 0.33230 1.00000
Rh1 Rh 0.62643 0.21321 0.24528 1.00000
Rh2 Rh 0.38816 0.28383 0.76871 1.00000
Rh3 Rh 0.09345 0.68913 0.29684 1.00000
Rh4 Rh 0.84656 0.73641 0.83818 1.00000
