TaMo
Alexandria ALEXAlex-ID: agm005481903 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_204_spg2
TaMo
2023-03-21 15:22:04.176089
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005481903).
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 agm005481903
data_agm005481903
_cell_length_a 2.86752
_cell_length_b 5.32972
_cell_length_c 6.94243
_cell_angle_alpha 77.90935
_cell_angle_beta 82.10536
_cell_angle_gamma 79.98329
_cell_volume 101.60406
_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 0.67351 0.66959 0.32842 1.00000
Ta2 Ta 0.33186 0.33160 0.67414 1.00000
Ta3 Ta 0.16113 0.16545 0.33044 1.00000
Mo1 Mo 0.99709 0.99918 0.99782 1.00000
Mo2 Mo 0.83230 0.83202 0.67197 1.00000
Mo3 Mo 0.50411 0.50216 0.99721 1.00000
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