Tb3Cd2Rh
Alexandria ALEXAlex-ID: agm016857421 · 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
AB2C3_458_spg2
TbCd Tb9Cd5Rh4
2025-04-15 09:06:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016857421).
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}
}
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# CIF generated by HEAS from Alexandria entry agm016857421
data_agm016857421
_cell_length_a 6.37364
_cell_length_b 6.42885
_cell_length_c 8.14997
_cell_angle_alpha 74.21738
_cell_angle_beta 74.29833
_cell_angle_gamma 68.65335
_cell_volume 293.77171
_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 0.24862 0.24471 0.50079 1.00000
Tb2 Tb 0.75138 0.75529 0.49921 1.00000
Tb3 Tb 0.07418 0.07156 0.20802 1.00000
Tb4 Tb 0.42904 0.42709 0.78153 1.00000
Tb5 Tb 0.57096 0.57291 0.21847 1.00000
Tb6 Tb 0.92582 0.92844 0.79198 1.00000
Cd1 Cd 0.09551 0.58634 0.13575 1.00000
Cd2 Cd 0.58745 0.09678 0.13953 1.00000
Cd3 Cd 0.41255 0.90322 0.86047 1.00000
Cd4 Cd 0.90449 0.41366 0.86425 1.00000
Rh1 Rh 0.27303 0.78598 0.50200 1.00000
Rh2 Rh 0.72697 0.21402 0.49800 1.00000
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