TmPuIr
Alexandria ALEXAlex-ID: agm003599533 · 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
ABC_1393_spg71
Tm5Ir3 Pu5Ir3 Pu
2022-03-10 07:16:33.553023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003599533).
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 agm003599533
data_agm003599533
_cell_length_a 4.00586
_cell_length_b 5.78880
_cell_length_c 7.12634
_cell_angle_alpha 113.94252
_cell_angle_beta 106.34115
_cell_angle_gamma 89.98086
_cell_volume 143.70658
_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 0.28013 0.78141 0.58246 1.00000
Tm2 Tm 0.84597 0.34692 0.71362 1.00000
Pu1 Pu 0.56280 0.81573 0.14806 1.00000
Pu2 Pu 0.56328 0.31259 0.14804 1.00000
Ir1 Ir 0.93482 0.93583 0.89162 1.00000
Ir2 Ir 0.19130 0.19250 0.40446 1.00000
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