NbGeMo
Alexandria ALEXAlex-ID: agm005673221 · 空间群: Pmma (#51)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_8718_spg51
Nb4Ge3Mo GeMo3
2023-06-17 12:16:53.050215
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673221).
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 agm005673221
data_agm005673221
_cell_length_a 3.42721
_cell_length_b 7.05701
_cell_length_c 12.23860
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 296.00097
_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
Nb1 Nb 0.00000 0.24710 0.95127 1.00000
Nb2 Nb 0.00000 0.75290 0.04873 1.00000
Nb3 Nb 0.00000 0.24710 0.54873 1.00000
Nb4 Nb 0.00000 0.75290 0.45127 1.00000
Nb5 Nb 0.00000 0.16622 0.25000 1.00000
Nb6 Nb 0.00000 0.83378 0.75000 1.00000
Ge1 Ge 0.50000 0.06322 0.09591 1.00000
Ge2 Ge 0.50000 0.93678 0.90409 1.00000
Ge3 Ge 0.50000 0.06322 0.40409 1.00000
Ge4 Ge 0.50000 0.93678 0.59591 1.00000
Ge5 Ge 0.00000 0.55260 0.25000 1.00000
Ge6 Ge 0.00000 0.44740 0.75000 1.00000
Mo1 Mo 0.50000 0.43317 0.11241 1.00000
Mo2 Mo 0.50000 0.56683 0.88759 1.00000
Mo3 Mo 0.50000 0.43317 0.38759 1.00000
Mo4 Mo 0.50000 0.56683 0.61241 1.00000
Mo5 Mo 0.50000 0.81360 0.25000 1.00000
Mo6 Mo 0.50000 0.18640 0.75000 1.00000
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