Zr18Mn2CoBi6
Alexandria ALEXAlex-ID: agm020410102 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D18_18_spg38
Zr18Mn(CoBi3)2 Zr6MnBi2
2024-10-14 11:28:54.527576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020410102).
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 agm020410102
data_agm020410102
_cell_length_a 21.01238
_cell_length_b 21.01238
_cell_length_c 3.69403
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.18296
_cell_volume 606.14660
_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
Zr1 Zr 0.23408 0.23408 0.00000 1.00000
Zr2 Zr 0.90368 0.57035 0.00000 1.00000
Zr3 Zr 0.57035 0.90368 0.00000 1.00000
Zr4 Zr 0.50816 0.25393 0.00000 1.00000
Zr5 Zr 0.17607 0.58796 0.00000 1.00000
Zr6 Zr 0.84326 0.92122 0.00000 1.00000
Zr7 Zr 0.92122 0.84326 0.00000 1.00000
Zr8 Zr 0.58796 0.17607 0.00000 1.00000
Zr9 Zr 0.25393 0.50816 0.00000 1.00000
Zr10 Zr 0.60977 0.60977 0.50000 1.00000
Zr11 Zr 0.27722 0.94401 0.50000 1.00000
Zr12 Zr 0.94401 0.27722 0.50000 1.00000
Zr13 Zr 0.26018 0.12990 0.50000 1.00000
Zr14 Zr 0.92673 0.46371 0.50000 1.00000
Zr15 Zr 0.59236 0.79608 0.50000 1.00000
Zr16 Zr 0.79608 0.59236 0.50000 1.00000
Zr17 Zr 0.46371 0.92673 0.50000 1.00000
Zr18 Zr 0.12990 0.26018 0.50000 1.00000
Mn1 Mn 0.66781 0.33481 0.50000 1.00000
Mn2 Mn 0.33481 0.66781 0.50000 1.00000
Co1 Co 0.99943 0.99943 0.50000 1.00000
Bi1 Bi 0.11042 0.88866 0.00000 1.00000
Bi2 Bi 0.77815 0.22270 0.00000 1.00000
Bi3 Bi 0.44415 0.55486 0.00000 1.00000
Bi4 Bi 0.55486 0.44415 0.00000 1.00000
Bi5 Bi 0.22270 0.77815 0.00000 1.00000
Bi6 Bi 0.88866 0.11042 0.00000 1.00000
