Tb4Pu3Mn4
Alexandria ALEXAlex-ID: agm009388804 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_7_spg38
Tb2PuMn2 Pu
2024-06-24 11:47:23.918785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009388804).
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 agm009388804
data_agm009388804
_cell_length_a 3.61197
_cell_length_b 6.05349
_cell_length_c 12.95883
_cell_angle_alpha 62.87408
_cell_angle_beta 87.27657
_cell_angle_gamma 73.02582
_cell_volume 239.97084
_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
Tb1 Tb 0.75616 0.43881 0.12712 1.00000
Tb2 Tb 0.24384 0.56119 0.87288 1.00000
Tb3 Tb 0.56358 0.98612 0.62106 1.00000
Tb4 Tb 0.43642 0.01388 0.37894 1.00000
Pu1 Pu 0.12134 0.64943 0.29715 1.00000
Pu2 Pu 0.87866 0.35057 0.70285 1.00000
Pu3 Pu 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.45976 0.99248 0.14581 1.00000
Mn2 Mn 0.17805 0.59566 0.55192 1.00000
Mn3 Mn 0.82195 0.40434 0.44808 1.00000
Mn4 Mn 0.54024 0.00752 0.85419 1.00000
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