Tm7Sn23Ru6
Alexandria ALEXAlex-ID: agm009649840 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A6B7C23_0_spg164
Tm7Sn23Ru6
2025-01-18 00:10:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009649840).
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 agm009649840
data_agm009649840
_cell_length_a 9.81828
_cell_length_b 9.81828
_cell_length_c 10.00436
_cell_angle_alpha 89.98770
_cell_angle_beta 90.01230
_cell_angle_gamma 119.98197
_cell_volume 835.35296
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tm2 Tm 0.48640 0.97282 0.30231 1.00000
Tm3 Tm 0.51360 0.02718 0.69769 1.00000
Tm4 Tm 0.48644 0.51356 0.30235 1.00000
Tm5 Tm 0.51356 0.48644 0.69765 1.00000
Tm6 Tm 0.02718 0.51360 0.30231 1.00000
Tm7 Tm 0.97282 0.48640 0.69769 1.00000
Sn1 Sn 0.34859 0.34859 0.00000 1.00000
Sn2 Sn 0.65141 0.65141 0.00000 1.00000
Sn3 Sn 0.00006 0.65147 0.00001 1.00000
Sn4 Sn 0.99994 0.34853 0.99999 1.00000
Sn5 Sn 0.65147 0.00006 0.99999 1.00000
Sn6 Sn 0.34853 0.99994 0.00001 1.00000
Sn7 Sn 0.33330 0.66670 0.82442 1.00000
Sn8 Sn 0.66670 0.33330 0.17558 1.00000
Sn9 Sn 0.00000 0.00000 0.50000 1.00000
Sn10 Sn 0.77707 0.55412 0.46474 1.00000
Sn11 Sn 0.22293 0.44588 0.53526 1.00000
Sn12 Sn 0.77716 0.22284 0.46470 1.00000
Sn13 Sn 0.22284 0.77716 0.53530 1.00000
Sn14 Sn 0.44588 0.22293 0.46474 1.00000
Sn15 Sn 0.55412 0.77707 0.53526 1.00000
Sn16 Sn 0.33333 0.66667 0.13397 1.00000
Sn17 Sn 0.66667 0.33333 0.86603 1.00000
Sn18 Sn 0.11900 0.23778 0.27652 1.00000
Sn19 Sn 0.88100 0.76222 0.72348 1.00000
Sn20 Sn 0.11885 0.88115 0.27649 1.00000
Sn21 Sn 0.88115 0.11885 0.72351 1.00000
Sn22 Sn 0.76222 0.88100 0.27652 1.00000
Sn23 Sn 0.23778 0.11900 0.72348 1.00000
Ru1 Ru 0.82953 0.65892 0.20346 1.00000
Ru2 Ru 0.17047 0.34108 0.79654 1.00000
Ru3 Ru 0.82957 0.17043 0.20344 1.00000
Ru4 Ru 0.17043 0.82957 0.79656 1.00000
Ru5 Ru 0.34108 0.17047 0.20346 1.00000
Ru6 Ru 0.65892 0.82953 0.79654 1.00000
