Tb2Mn7H
Alexandria ALEXAlex-ID: agm007639700 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_782_spg2
Tb Mn TbH2
2024-06-04 04:26:31.058920
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007639700).
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 agm007639700
data_agm007639700
_cell_length_a 5.24781
_cell_length_b 5.48553
_cell_length_c 5.78553
_cell_angle_alpha 89.98063
_cell_angle_beta 95.05692
_cell_angle_gamma 121.49552
_cell_volume 141.25467
_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 0.32197 0.16093 0.37462 1.00000
Tb2 Tb 0.67803 0.83907 0.62538 1.00000
Mn1 Mn 0.00000 0.50000 0.50000 1.00000
Mn2 Mn 0.78475 0.13390 0.14405 1.00000
Mn3 Mn 0.78477 0.65055 0.14429 1.00000
Mn4 Mn 0.30374 0.65173 0.15853 1.00000
Mn5 Mn 0.69626 0.34827 0.84147 1.00000
Mn6 Mn 0.21523 0.34945 0.85571 1.00000
Mn7 Mn 0.21525 0.86610 0.85595 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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