Ti4Re3Mo4
Alexandria ALEXAlex-ID: agm005703045 · 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
A3B4C4_25_spg71
Ti3Re3Mo2 TiMo2
2023-07-02 02:39:24.944130
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703045).
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 agm005703045
data_agm005703045
_cell_length_a 2.77018
_cell_length_b 4.42397
_cell_length_c 14.14498
_cell_angle_alpha 99.01435
_cell_angle_beta 93.32279
_cell_angle_gamma 89.91459
_cell_volume 170.91575
_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 0.71810 0.09049 0.18027 1.00000
Ti2 Ti 0.20563 0.27214 0.54468 1.00000
Ti3 Ti 0.79436 0.72789 0.45532 1.00000
Ti4 Ti 0.28187 0.90954 0.81973 1.00000
Re1 Re 0.09464 0.63598 0.27154 1.00000
Re2 Re 0.90533 0.36404 0.72846 1.00000
Re3 Re 0.99998 0.00001 1.00000 1.00000
Mo1 Mo 0.35661 0.54626 0.09210 1.00000
Mo2 Mo 0.64335 0.45377 0.90789 1.00000
Mo3 Mo 0.56436 0.81947 0.63956 1.00000
Mo4 Mo 0.43562 0.18055 0.36044 1.00000
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