TmHfIr
Alexandria ALEXAlex-ID: agm005677559 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7266_spg189
TmHfIr
2023-06-18 13:28:47.804099
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677559).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005677559
data_agm005677559
_cell_length_a 7.00889
_cell_length_b 8.36023
_cell_length_c 8.36023
_cell_angle_alpha 66.23114
_cell_angle_beta 65.21711
_cell_angle_gamma 65.21712
_cell_volume 388.13718
_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 0.16908 0.04196 0.54196 1.00000
Tm2 Tm 0.75299 0.95804 0.45804 1.00000
Tm3 Tm 0.33745 0.75004 0.25004 1.00000
Tm4 Tm 0.33753 0.24996 0.74996 1.00000
Tm5 Tm 0.75328 0.45799 0.95799 1.00000
Tm6 Tm 0.16926 0.54201 0.04201 1.00000
Hf1 Hf 0.00764 0.00000 1.00000 1.00000
Hf2 Hf 0.00764 0.50000 0.50000 1.00000
Hf3 Hf 0.75381 0.37251 0.37240 1.00000
Hf4 Hf 0.49872 0.62749 0.62760 1.00000
Hf5 Hf 0.49872 0.12760 0.12749 1.00000
Hf6 Hf 0.75381 0.87240 0.87251 1.00000
Ir1 Ir 0.75253 0.25002 0.75002 1.00000
Ir2 Ir 0.75258 0.74998 0.24998 1.00000
Ir3 Ir 0.08727 0.16636 0.16637 1.00000
Ir4 Ir 0.42000 0.83364 0.83363 1.00000
Ir5 Ir 0.42000 0.33363 0.33364 1.00000
Ir6 Ir 0.08727 0.66637 0.66636 1.00000
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