Hf6NbCo
Alexandria ALEXAlex-ID: agm003768554 · 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
ABC6_258_spg12
HfNb17 Hf2Co Hf
2022-04-20 00:52:37.215690
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003768554).
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 agm003768554
data_agm003768554
_cell_length_a 5.73019
_cell_length_b 7.49148
_cell_length_c 5.58773
_cell_angle_alpha 67.61979
_cell_angle_beta 83.02402
_cell_angle_gamma 47.71527
_cell_volume 160.87676
_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
Hf1 Hf 0.21121 0.25483 0.74506 1.00000
Hf2 Hf 0.90054 0.86788 0.67560 1.00000
Hf3 Hf 0.44402 0.32458 0.13264 1.00000
Hf4 Hf 0.09946 0.13212 0.32440 1.00000
Hf5 Hf 0.78879 0.74517 0.25494 1.00000
Hf6 Hf 0.55598 0.67542 0.86736 1.00000
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
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