Ba7Mg2Rh3
Alexandria ALEXAlex-ID: agm101891746 · 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
A2B3C7_943_spg1
Mg7Rh5 Ba6Rh MgRh
2025-05-17 02:05:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101891746).
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 agm101891746
data_agm101891746
_cell_length_a 6.73699
_cell_length_b 7.49727
_cell_length_c 10.72218
_cell_angle_alpha 83.93401
_cell_angle_beta 100.43190
_cell_angle_gamma 118.06412
_cell_volume 469.86015
_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
Ba1 Ba 0.71059 0.22403 0.55051 1.00000
Ba2 Ba 0.46644 0.35704 0.17270 1.00000
Ba3 Ba 0.85010 0.96813 0.29092 1.00000
Ba4 Ba 0.16857 0.63133 0.33880 1.00000
Ba5 Ba 0.41989 0.50566 0.72985 1.00000
Ba6 Ba 0.86240 0.28068 0.93596 1.00000
Ba7 Ba 0.06792 0.89444 0.66125 1.00000
Mg1 Mg 0.91693 0.81846 0.99121 1.00000
Mg2 Mg 0.37220 0.82632 0.99610 1.00000
Rh1 Rh 0.27490 0.12591 0.91771 1.00000
Rh2 Rh 0.23593 0.28574 0.46851 1.00000
Rh3 Rh 0.65412 0.58226 0.44648 1.00000
获取直接链接