Te4Rh12C
Alexandria ALEXAlex-ID: agm099522015 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12_393_spg6
Te8Rh9 Rh C
2025-04-13 09:21:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099522015).
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 agm099522015
data_agm099522015
_cell_length_a 8.14710
_cell_length_b 8.14710
_cell_length_c 4.01260
_cell_angle_alpha 89.94061
_cell_angle_beta 90.05939
_cell_angle_gamma 88.62104
_cell_volume 266.25997
_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
Te1 Te 0.99723 0.00277 0.00035 1.00000
Te2 Te 0.98709 0.48637 0.99943 1.00000
Te3 Te 0.51363 0.01291 0.99943 1.00000
Te4 Te 0.51955 0.48045 0.99983 1.00000
Rh1 Rh 0.99426 0.75969 0.50142 1.00000
Rh2 Rh 0.99324 0.23970 0.50039 1.00000
Rh3 Rh 0.50527 0.78726 0.49919 1.00000
Rh4 Rh 0.49016 0.26110 0.50020 1.00000
Rh5 Rh 0.24031 0.00574 0.50142 1.00000
Rh6 Rh 0.21274 0.49473 0.49919 1.00000
Rh7 Rh 0.76030 0.00676 0.50039 1.00000
Rh8 Rh 0.73890 0.50984 0.50020 1.00000
Rh9 Rh 0.29641 0.70359 0.99902 1.00000
Rh10 Rh 0.24445 0.25579 0.00046 1.00000
Rh11 Rh 0.74421 0.75555 0.00046 1.00000
Rh12 Rh 0.75072 0.24928 0.00026 1.00000
C1 C 0.25057 0.74943 0.49880 1.00000
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