Ta2CoNi9
Alexandria ALEXAlex-ID: agm005864530 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_125_spg2
CoNi3 TaNi3
2023-07-24 07:36:09.974269
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005864530).
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
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# CIF generated by HEAS from Alexandria entry agm005864530
data_agm005864530
_cell_length_a 6.21922
_cell_length_b 4.59535
_cell_length_c 5.89775
_cell_angle_alpha 71.88344
_cell_angle_beta 65.46197
_cell_angle_gamma 74.44318
_cell_volume 143.83311
_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
Ta1 Ta 0.23568 0.09968 0.49821 1.00000
Ta2 Ta 0.76432 0.90032 0.50179 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.34094 0.19023 0.96052 1.00000
Ni2 Ni 0.65906 0.80977 0.03948 1.00000
Ni3 Ni 0.50000 0.50000 0.50000 1.00000
Ni4 Ni 0.39545 0.71094 0.84993 1.00000
Ni5 Ni 0.78819 0.30131 0.71027 1.00000
Ni6 Ni 0.05761 0.57660 0.76538 1.00000
Ni7 Ni 0.60455 0.28906 0.15007 1.00000
Ni8 Ni 0.94239 0.42340 0.23462 1.00000
Ni9 Ni 0.21181 0.69869 0.28973 1.00000
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