Tm5Mg2OsRu2
Alexandria ALEXAlex-ID: agm005135013 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_49_spg127
Tm2Mg2Ru Tm4OsRu Tm2MgRu TmOs2
2022-07-14 22:55:34.610118
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005135013).
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 agm005135013
data_agm005135013
_cell_length_a 3.44169
_cell_length_b 11.57290
_cell_length_c 11.57290
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 460.95298
_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 0.50000 0.19624 0.05520 1.00000
Tm2 Tm 0.50000 0.80376 0.94480 1.00000
Tm3 Tm 0.50000 0.05520 0.80376 1.00000
Tm4 Tm 0.50000 0.69624 0.44480 1.00000
Tm5 Tm 0.50000 0.94480 0.19624 1.00000
Tm6 Tm 0.50000 0.30376 0.55520 1.00000
Tm7 Tm 0.50000 0.55520 0.69624 1.00000
Tm8 Tm 0.50000 0.44480 0.30376 1.00000
Tm9 Tm 0.50000 0.50000 0.00000 1.00000
Tm10 Tm 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.68939 0.18939 1.00000
Mg2 Mg 0.00000 0.31061 0.81061 1.00000
Mg3 Mg 0.00000 0.18939 0.31061 1.00000
Mg4 Mg 0.00000 0.81061 0.68939 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00000 0.13468 0.63468 1.00000
Ru2 Ru 0.00000 0.86532 0.36532 1.00000
Ru3 Ru 0.00000 0.63468 0.86532 1.00000
Ru4 Ru 0.00000 0.36532 0.13468 1.00000
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