Tm6GaPd5
Alexandria ALEXAlex-ID: agm006100769 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
TmGa TmPd
2023-08-27 00:51:38.837042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100769).
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 agm006100769
data_agm006100769
_cell_length_a 4.94018
_cell_length_b 6.86060
_cell_length_c 7.82778
_cell_angle_alpha 89.99956
_cell_angle_beta 108.48263
_cell_angle_gamma 90.00001
_cell_volume 251.61915
_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 0.83196 0.74936 0.66299 1.00000
Tm2 Tm 0.83194 0.25067 0.66298 1.00000
Tm3 Tm 0.50000 0.25476 1.00000 1.00000
Tm4 Tm 0.50000 0.74524 0.00000 1.00000
Tm5 Tm 0.16806 0.74933 0.33702 1.00000
Tm6 Tm 0.16804 0.25064 0.33701 1.00000
Pd1 Pd 0.66642 0.50001 0.33435 1.00000
Pd2 Pd 0.33940 0.00000 0.67679 1.00000
Pd3 Pd 0.00000 0.50000 0.00000 1.00000
Pd4 Pd 0.66060 1.00000 0.32321 1.00000
Pd5 Pd 0.33358 0.49999 0.66565 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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