TiTcW14
Alexandria ALEXAlex-ID: agm005807574 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_15_spg38
TiW15 W TiTc2W
2023-07-19 04:54:35.705216
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807574).
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 agm005807574
data_agm005807574
_cell_length_a 5.49801
_cell_length_b 5.49801
_cell_length_c 8.98472
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.17295
_cell_volume 256.52663
_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
Ti1 Ti 0.62496 0.37504 0.50000 1.00000
Tc1 Tc 0.12500 0.87500 0.50000 1.00000
W1 W 0.12502 0.87498 0.00000 1.00000
W2 W 0.62501 0.37499 0.00000 1.00000
W3 W 0.12499 0.37500 0.50000 1.00000
W4 W 0.12503 0.37499 0.00000 1.00000
W5 W 0.62500 0.87501 0.50000 1.00000
W6 W 0.62501 0.87497 0.00000 1.00000
W7 W 0.37492 0.12493 0.75012 1.00000
W8 W 0.37492 0.12493 0.24988 1.00000
W9 W 0.87507 0.62508 0.75012 1.00000
W10 W 0.87507 0.62508 0.24988 1.00000
W11 W 0.37591 0.62409 0.74833 1.00000
W12 W 0.37591 0.62409 0.25167 1.00000
W13 W 0.87408 0.12592 0.74832 1.00000
W14 W 0.87408 0.12592 0.25168 1.00000
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