Ta2Nb5W4
Alexandria ALEXAlex-ID: agm005669694 · 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
A2B4C5_156_spg12
TaNb10 Ta3W4 NbW
2023-06-22 05:38:13.940324
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669694).
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 agm005669694
data_agm005669694
_cell_length_a 2.69543
_cell_length_b 7.31709
_cell_length_c 10.10054
_cell_angle_alpha 91.52362
_cell_angle_beta 97.66756
_cell_angle_gamma 90.00032
_cell_volume 197.35758
_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 0.90935 0.27693 0.81871 1.00000
Ta2 Ta 0.09065 0.72307 0.18129 1.00000
Nb1 Nb 0.77024 0.18668 0.54048 1.00000
Nb2 Nb 0.22976 0.81332 0.45952 1.00000
Nb3 Nb 0.86240 0.90364 0.72480 1.00000
Nb4 Nb 0.50000 0.00000 0.00000 1.00000
Nb5 Nb 0.13760 0.09636 0.27520 1.00000
W1 W 0.31947 0.53870 0.63893 1.00000
W2 W 0.04676 0.36273 0.09352 1.00000
W3 W 0.68053 0.46130 0.36107 1.00000
W4 W 0.95324 0.63727 0.90648 1.00000
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