TmPuMn2
Alexandria ALEXAlex-ID: agm005776398 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_42_spg194
Tm2PuMn2 Mn Pu
2023-07-12 06:39:10.264393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776398).
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 agm005776398
data_agm005776398
_cell_length_a 4.31920
_cell_length_b 4.31920
_cell_length_c 9.11716
_cell_angle_alpha 89.99987
_cell_angle_beta 90.00003
_cell_angle_gamma 120.00039
_cell_volume 147.29710
_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 0.33333 0.66667 0.25000 1.00000
Tm2 Tm 0.66667 0.33333 0.75000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.66667 0.33333 0.06985 1.00000
Mn2 Mn 0.33333 0.66667 0.56985 1.00000
Mn3 Mn 0.66667 0.33333 0.43015 1.00000
Mn4 Mn 0.33333 0.66667 0.93015 1.00000
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