Nd6GeC2Br3
Alexandria ALEXAlex-ID: agm004594015 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_196_spg12
Nd2CBr Nd4Ge3 Nd3GeBr3 Nd
2022-06-26 17:31:41.706373
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004594015).
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 agm004594015
data_agm004594015
_cell_length_a 3.95810
_cell_length_b 8.77516
_cell_length_c 9.63228
_cell_angle_alpha 109.32410
_cell_angle_beta 101.85645
_cell_angle_gamma 90.00000
_cell_volume 308.13563
_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 0.33354 0.85693 0.66708 1.00000
Nd2 Nd 0.68337 0.55092 0.36674 1.00000
Nd3 Nd 0.66646 0.14307 0.33292 1.00000
Nd4 Nd 0.02748 0.25233 0.05497 1.00000
Nd5 Nd 0.97252 0.74767 0.94503 1.00000
Nd6 Nd 0.31663 0.44908 0.63326 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
C1 C 0.82925 0.66136 0.65849 1.00000
C2 C 0.17075 0.33864 0.34151 1.00000
Br1 Br 0.50000 0.50000 0.00000 1.00000
Br2 Br 0.83605 0.16931 0.67210 1.00000
Br3 Br 0.16395 0.83069 0.32790 1.00000
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