Nd3Zn6Ge5
Alexandria ALEXAlex-ID: agm005698946 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_6_spg59
Nd4Zn5Ge6 Nd2(ZnGe2)3 Nd2(Zn2Ge)3
2023-06-30 15:32:28.258800
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698946).
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 agm005698946
data_agm005698946
_cell_length_a 4.18364
_cell_length_b 10.45751
_cell_length_c 12.55299
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 549.19942
_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
Nd1 Nd 0.00000 0.25045 0.66778 1.00000
Nd2 Nd 0.50000 0.74955 0.16778 1.00000
Nd3 Nd 0.50000 0.74955 0.83222 1.00000
Nd4 Nd 0.00000 0.25458 0.00000 1.00000
Nd5 Nd 0.50000 0.74542 0.50000 1.00000
Nd6 Nd 0.00000 0.25045 0.33222 1.00000
Zn1 Zn 0.00000 0.99537 0.84177 1.00000
Zn2 Zn 0.50000 0.00463 0.65823 1.00000
Zn3 Zn 0.50000 0.38245 0.83235 1.00000
Zn4 Zn 0.50000 0.52369 0.00000 1.00000
Zn5 Zn 0.00000 0.47631 0.50000 1.00000
Zn6 Zn 0.00000 0.61755 0.66765 1.00000
Zn7 Zn 0.00000 0.61755 0.33235 1.00000
Zn8 Zn 0.50000 0.99391 0.00000 1.00000
Zn9 Zn 0.00000 0.99537 0.15823 1.00000
Zn10 Zn 0.50000 0.38245 0.16765 1.00000
Zn11 Zn 0.00000 0.00609 0.50000 1.00000
Zn12 Zn 0.50000 0.00463 0.34177 1.00000
Ge1 Ge 0.00000 0.52148 0.86232 1.00000
Ge2 Ge 0.00000 0.85806 0.66687 1.00000
Ge3 Ge 0.00000 0.82676 0.00000 1.00000
Ge4 Ge 0.50000 0.47852 0.63768 1.00000
Ge5 Ge 0.50000 0.17324 0.50000 1.00000
Ge6 Ge 0.00000 0.52148 0.13768 1.00000
Ge7 Ge 0.50000 0.47852 0.36232 1.00000
Ge8 Ge 0.00000 0.85806 0.33313 1.00000
Ge9 Ge 0.50000 0.14194 0.83313 1.00000
Ge10 Ge 0.50000 0.14194 0.16687 1.00000
