Tb3P4Rh7
Alexandria ALEXAlex-ID: agm005705375 · 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
A3B4C7_55_spg12
Tb7P12Rh17 Tb2P3Rh4 Tb2PRh6
2023-06-29 17:09:46.520701
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705375).
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 agm005705375
data_agm005705375
_cell_length_a 3.95590
_cell_length_b 7.75617
_cell_length_c 8.14256
_cell_angle_alpha 70.55815
_cell_angle_beta 75.94135
_cell_angle_gamma 75.22547
_cell_volume 224.35219
_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 0.32905 0.17359 0.16831 1.00000
Tb2 Tb 0.67095 0.82641 0.83169 1.00000
Tb3 Tb 0.00000 0.50000 0.50000 1.00000
P1 P 0.66675 0.44121 0.22529 1.00000
P2 P 0.33325 0.55879 0.77471 1.00000
P3 P 0.89095 0.89118 0.32692 1.00000
P4 P 0.10905 0.10882 0.67308 1.00000
Rh1 Rh 0.30148 0.85038 0.54665 1.00000
Rh2 Rh 0.49378 0.24277 0.76966 1.00000
Rh3 Rh 0.83154 0.41653 0.92040 1.00000
Rh4 Rh 0.69852 0.14962 0.45335 1.00000
Rh5 Rh 0.16846 0.58347 0.07960 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50622 0.75723 0.23034 1.00000
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