Th3Co4Pd3
Alexandria ALEXAlex-ID: agm009178583 · 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
A3B3C4_6_spg38
Th2Co17 ThCo ThPd3
2024-05-28 17:57:43.067398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009178583).
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 agm009178583
data_agm009178583
_cell_length_a 6.51638
_cell_length_b 6.51638
_cell_length_c 4.33970
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 96.95642
_cell_volume 182.92132
_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 0.55423 0.97530 0.50000 1.00000
Th2 Th 0.97530 0.55423 0.50000 1.00000
Th3 Th 0.16649 0.16649 0.00000 1.00000
Co1 Co 0.58750 0.58750 0.50000 1.00000
Co2 Co 0.31557 0.31557 0.50000 1.00000
Co3 Co 0.91412 0.15827 0.50000 1.00000
Co4 Co 0.15827 0.91412 0.50000 1.00000
Pd1 Pd 0.80743 0.80743 0.00000 1.00000
Pd2 Pd 0.33583 0.68528 0.00000 1.00000
Pd3 Pd 0.68528 0.33583 0.00000 1.00000
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