Tm4OsPd
Alexandria ALEXAlex-ID: agm005809770 · 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
ABC4_1313_spg15
Tm3Os TmPd
2023-07-31 01:53:21.447516
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809770).
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 agm005809770
data_agm005809770
_cell_length_a 6.22056
_cell_length_b 7.80869
_cell_length_c 7.80869
_cell_angle_alpha 110.55911
_cell_angle_beta 107.87137
_cell_angle_gamma 107.87149
_cell_volume 299.18777
_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 0.77814 0.63945 0.76741 1.00000
Tm2 Tm 0.09322 0.94856 0.29587 1.00000
Tm3 Tm 0.72186 0.23258 0.36055 1.00000
Tm4 Tm 0.40678 0.70413 0.05144 1.00000
Tm5 Tm 0.59322 0.29587 0.94856 1.00000
Tm6 Tm 0.27814 0.76742 0.63945 1.00000
Tm7 Tm 0.90678 0.05144 0.70413 1.00000
Tm8 Tm 0.22186 0.36055 0.23259 1.00000
Os1 Os 0.25000 0.00137 0.99863 1.00000
Os2 Os 0.75000 0.99863 0.00137 1.00000
Pd1 Pd 0.75000 0.63721 0.36279 1.00000
Pd2 Pd 0.25000 0.36279 0.63721 1.00000
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