Tb5(PrEr)2
Alexandria ALEXAlex-ID: agm009762669 · 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
A2B2C5_313_spg12
Tb5Pr3 Tb2PrEr6 Tb5Pr
2024-05-10 12:59:47.603153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009762669).
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 agm009762669
data_agm009762669
_cell_length_a 6.19285
_cell_length_b 6.19285
_cell_length_c 14.76428
_cell_angle_alpha 69.47907
_cell_angle_beta 69.47907
_cell_angle_gamma 33.66164
_cell_volume 292.04865
_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 0.11138 0.11138 0.55421 1.00000
Tb2 Tb 0.88862 0.88862 0.44579 1.00000
Tb3 Tb 0.77832 0.77832 0.88839 1.00000
Tb4 Tb 0.22168 0.22168 0.11161 1.00000
Tb5 Tb 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.44259 0.44259 0.22350 1.00000
Pr2 Pr 0.55741 0.55741 0.77650 1.00000
Er1 Er 0.33569 0.33569 0.66477 1.00000
Er2 Er 0.66431 0.66431 0.33523 1.00000
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