Tb2Pr2Ho2Cd
Alexandria ALEXAlex-ID: agm017376925 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_117_spg119
Tb5Pr3 TbPrHo4 TbHoCd Pr
2025-05-01 23:28:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017376925).
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 agm017376925
data_agm017376925
_cell_length_a 16.96093
_cell_length_b 16.96093
_cell_length_c 16.96093
_cell_angle_alpha 167.75419
_cell_angle_beta 167.75419
_cell_angle_gamma 17.35148
_cell_volume 219.49629
_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 0.06115 0.06115 0.00000 1.00000
Tb2 Tb 0.93885 0.93885 0.00000 1.00000
Pr1 Pr 0.36290 0.36290 0.00000 1.00000
Pr2 Pr 0.63710 0.63710 0.00000 1.00000
Ho1 Ho 0.21385 0.21385 0.00000 1.00000
Ho2 Ho 0.78615 0.78615 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
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