Er21Mn8Sn7C12
Alexandria ALEXAlex-ID: agm019149073 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B8C12D21_0_spg225
Er21Mn8Sn7C12
2024-11-07 01:24:00.777080
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019149073).
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 agm019149073
data_agm019149073
_cell_length_a 10.99328
_cell_length_b 10.99328
_cell_length_c 10.99328
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 939.43427
_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
Er1 Er 0.13529 0.13529 0.13529 1.00000
Er2 Er 0.86471 0.86471 0.40588 1.00000
Er3 Er 0.13529 0.13529 0.59412 1.00000
Er4 Er 0.16207 0.83793 0.50000 1.00000
Er5 Er 0.50000 0.83793 0.16207 1.00000
Er6 Er 0.50000 0.50000 0.16207 1.00000
Er7 Er 0.83793 0.50000 0.50000 1.00000
Er8 Er 0.86471 0.40588 0.86471 1.00000
Er9 Er 0.59412 0.13529 0.13529 1.00000
Er10 Er 0.50000 0.83793 0.50000 1.00000
Er11 Er 0.16207 0.50000 0.50000 1.00000
Er12 Er 0.50000 0.16207 0.50000 1.00000
Er13 Er 0.16207 0.50000 0.83793 1.00000
Er14 Er 0.13529 0.59412 0.13529 1.00000
Er15 Er 0.83793 0.50000 0.16207 1.00000
Er16 Er 0.50000 0.50000 0.83793 1.00000
Er17 Er 0.00000 0.00000 0.00000 1.00000
Er18 Er 0.83793 0.16207 0.50000 1.00000
Er19 Er 0.86471 0.86471 0.86471 1.00000
Er20 Er 0.50000 0.16207 0.83793 1.00000
Er21 Er 0.40588 0.86471 0.86471 1.00000
Mn1 Mn 0.69378 0.69378 0.69378 1.00000
Mn2 Mn 0.30622 0.30622 0.30622 1.00000
Mn3 Mn 0.30622 0.30622 0.08134 1.00000
Mn4 Mn 0.30622 0.08134 0.30622 1.00000
Mn5 Mn 0.91866 0.69378 0.69378 1.00000
Mn6 Mn 0.69378 0.91866 0.69378 1.00000
Mn7 Mn 0.69378 0.69378 0.91866 1.00000
Mn8 Mn 0.08134 0.30622 0.30622 1.00000
Sn1 Sn 0.79095 0.20905 0.20905 1.00000
Sn2 Sn 0.20905 0.20905 0.79095 1.00000
Sn3 Sn 0.20905 0.79095 0.79095 1.00000
Sn4 Sn 0.79095 0.79095 0.20905 1.00000
Sn5 Sn 0.50000 0.50000 0.50000 1.00000
Sn6 Sn 0.20905 0.79095 0.20905 1.00000
Sn7 Sn 0.79095 0.20905 0.79095 1.00000
C1 C 0.10157 0.10157 0.39843 1.00000
C2 C 0.60157 0.60157 0.89843 1.00000
C3 C 0.10157 0.39843 0.39843 1.00000
C4 C 0.89843 0.60157 0.89843 1.00000
C5 C 0.10157 0.39843 0.10157 1.00000
C6 C 0.89843 0.60157 0.60157 1.00000
C7 C 0.60157 0.89843 0.89843 1.00000
C8 C 0.39843 0.10157 0.39843 1.00000
C9 C 0.39843 0.10157 0.10157 1.00000
C10 C 0.39843 0.39843 0.10157 1.00000
C11 C 0.60157 0.89843 0.60157 1.00000
C12 C 0.89843 0.89843 0.60157 1.00000
