Th4Pd2Rh3
Alexandria ALEXAlex-ID: agm005672113 · 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
A2B3C4_423_spg15
Th3Pd5 ThPd3 ThRh
2023-06-28 02:13:44.116794
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672113).
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 agm005672113
data_agm005672113
_cell_length_a 5.80219
_cell_length_b 8.55925
_cell_length_c 8.55791
_cell_angle_alpha 78.26504
_cell_angle_beta 86.36869
_cell_angle_gamma 86.37067
_cell_volume 414.73459
_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
Th1 Th 0.48006 0.97913 0.21588 1.00000
Th2 Th 0.01996 0.78414 0.02076 1.00000
Th3 Th 0.51995 0.02087 0.78412 1.00000
Th4 Th 0.98004 0.21586 0.97924 1.00000
Th5 Th 0.13961 0.26183 0.46942 1.00000
Th6 Th 0.36039 0.53046 0.73811 1.00000
Th7 Th 0.86039 0.73817 0.53058 1.00000
Th8 Th 0.63961 0.46954 0.26189 1.00000
Pd1 Pd 0.66179 0.13719 0.45526 1.00000
Pd2 Pd 0.83819 0.54465 0.86284 1.00000
Pd3 Pd 0.33821 0.86281 0.54474 1.00000
Pd4 Pd 0.16181 0.45535 0.13716 1.00000
Rh1 Rh 0.98655 0.98325 0.26357 1.00000
Rh2 Rh 0.51346 0.73646 0.01666 1.00000
Rh3 Rh 0.01345 0.01675 0.73643 1.00000
Rh4 Rh 0.48654 0.26354 0.98334 1.00000
Rh5 Rh 0.24998 0.63870 0.36133 1.00000
Rh6 Rh 0.75002 0.36130 0.63867 1.00000
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