Dy4Mn4B3Ru12C
Alexandria ALEXAlex-ID: agm010975764 · 空间群: P-6m2 (#187)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D4E12_2_spg187
DyB2Ru3 Dy(MnC)2 DyRu2 Mn2B Ru
2024-04-06 15:40:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010975764).
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 agm010975764
data_agm010975764
_cell_length_a 5.48185
_cell_length_b 5.48185
_cell_length_c 13.82095
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 359.68515
_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
Dy1 Dy 0.33333 0.66667 0.24930 1.00000
Dy2 Dy 0.33333 0.66667 0.75070 1.00000
Dy3 Dy 0.33333 0.66667 0.00000 1.00000
Dy4 Dy 0.33333 0.66667 0.50000 1.00000
Mn1 Mn 0.66667 0.33333 0.24962 1.00000
Mn2 Mn 0.66667 0.33333 0.75038 1.00000
Mn3 Mn 0.00000 0.00000 0.75137 1.00000
Mn4 Mn 0.00000 0.00000 0.24863 1.00000
B1 B 0.66667 0.33333 0.50000 1.00000
B2 B 0.00000 0.00000 0.00000 1.00000
B3 B 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.83215 0.66430 0.10402 1.00000
Ru2 Ru 0.83339 0.66678 0.60734 1.00000
Ru3 Ru 0.33570 0.16785 0.10402 1.00000
Ru4 Ru 0.33322 0.16661 0.60734 1.00000
Ru5 Ru 0.83215 0.16785 0.10402 1.00000
Ru6 Ru 0.83339 0.16661 0.60734 1.00000
Ru7 Ru 0.83215 0.66430 0.89598 1.00000
Ru8 Ru 0.83339 0.66678 0.39266 1.00000
Ru9 Ru 0.33570 0.16785 0.89598 1.00000
Ru10 Ru 0.33322 0.16661 0.39266 1.00000
Ru11 Ru 0.83215 0.16785 0.89598 1.00000
Ru12 Ru 0.83339 0.16661 0.39266 1.00000
C1 C 0.66667 0.33333 0.00000 1.00000
