Tm2PaRu3
Alexandria ALEXAlex-ID: agm034858413 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4629_spg15
Tm2PaRu3
2024-10-15 18:06:12.930119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034858413).
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 agm034858413
data_agm034858413
_cell_length_a 7.55529
_cell_length_b 7.55529
_cell_length_c 8.36526
_cell_angle_alpha 89.52622
_cell_angle_beta 89.52622
_cell_angle_gamma 78.87536
_cell_volume 468.50916
_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 0.37476 0.12239 0.26538 1.00000
Tm2 Tm 0.79755 0.03323 0.40873 1.00000
Tm3 Tm 0.20245 0.96677 0.59127 1.00000
Tm4 Tm 0.62524 0.87761 0.73462 1.00000
Tm5 Tm 0.12239 0.37476 0.76538 1.00000
Tm6 Tm 0.03323 0.79755 0.90873 1.00000
Tm7 Tm 0.96677 0.20245 0.09127 1.00000
Tm8 Tm 0.87761 0.62524 0.23462 1.00000
Pa1 Pa 0.28315 0.54530 0.42331 1.00000
Pa2 Pa 0.71685 0.45470 0.57669 1.00000
Pa3 Pa 0.54530 0.28315 0.92331 1.00000
Pa4 Pa 0.45470 0.71685 0.07669 1.00000
Ru1 Ru 0.53616 0.76886 0.41065 1.00000
Ru2 Ru 0.04158 0.30537 0.42554 1.00000
Ru3 Ru 0.46384 0.23114 0.58935 1.00000
Ru4 Ru 0.95842 0.69463 0.57446 1.00000
Ru5 Ru 0.38495 0.61505 0.75000 1.00000
Ru6 Ru 0.85990 0.14010 0.75000 1.00000
Ru7 Ru 0.76886 0.53616 0.91065 1.00000
Ru8 Ru 0.30537 0.04158 0.92554 1.00000
Ru9 Ru 0.23114 0.46384 0.08935 1.00000
Ru10 Ru 0.69463 0.95842 0.07446 1.00000
Ru11 Ru 0.61505 0.38495 0.25000 1.00000
Ru12 Ru 0.14010 0.85990 0.25000 1.00000
