Tm6Ni2Pt
Alexandria ALEXAlex-ID: agm005694973 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_730_spg71
Tm3Ni Tm2Pt TmNi
2023-07-08 22:18:17.624239
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694973).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005694973
data_agm005694973
_cell_length_a 8.10212
_cell_length_b 8.10212
_cell_length_c 8.10212
_cell_angle_alpha 108.15099
_cell_angle_beta 109.74846
_cell_angle_gamma 110.52318
_cell_volume 409.24256
_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 0.55292 0.73011 0.82281 1.00000
Tm2 Tm 0.44708 0.26989 0.17719 1.00000
Tm3 Tm 0.09269 0.26989 0.82281 1.00000
Tm4 Tm 0.90731 0.73011 0.17719 1.00000
Tm5 Tm 0.81271 0.74990 0.56261 1.00000
Tm6 Tm 0.18729 0.25010 0.43739 1.00000
Tm7 Tm 0.18729 0.74990 0.93719 1.00000
Tm8 Tm 0.81271 0.25010 0.06281 1.00000
Tm9 Tm 0.69297 0.36427 0.67130 1.00000
Tm10 Tm 0.30703 0.63573 0.32870 1.00000
Tm11 Tm 0.30703 0.97833 0.67130 1.00000
Tm12 Tm 0.69297 0.02167 0.32870 1.00000
Ni1 Ni 0.50000 0.37939 0.87939 1.00000
Ni2 Ni 0.50000 0.62061 0.12061 1.00000
Ni3 Ni 0.65740 1.00000 0.65740 1.00000
Ni4 Ni 0.34260 0.00000 0.34260 1.00000
Pt1 Pt 0.00000 0.50000 0.50000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
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