V(Te3Rh)2
Alexandria ALEXAlex-ID: agm005690182 · 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
AB2C6_944_spg12
VTe4Rh Te2Rh
2023-07-10 14:08:28.463667
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690182).
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 agm005690182
data_agm005690182
_cell_length_a 3.80148
_cell_length_b 6.97219
_cell_length_c 10.75679
_cell_angle_alpha 118.18582
_cell_angle_beta 89.99998
_cell_angle_gamma 105.82005
_cell_volume 238.97524
_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
V1 V 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.99616 0.99232 0.74910 1.00000
Te2 Te 0.68610 0.37220 0.07997 1.00000
Te3 Te 0.31390 0.62780 0.92003 1.00000
Te4 Te 0.66609 0.33219 0.57436 1.00000
Te5 Te 0.33391 0.66781 0.42564 1.00000
Te6 Te 0.00384 0.00768 0.25090 1.00000
Rh1 Rh 0.65427 0.30854 0.81395 1.00000
Rh2 Rh 0.34573 0.69146 0.18605 1.00000
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