Tb5PmDyEr2
Alexandria ALEXAlex-ID: agm005167403 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_204_spg36
Tb5Er4 Tb5Dy Tb2DyEr6 Tb2Pm3Dy
2023-01-17 20:59:16.028867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005167403).
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 agm005167403
data_agm005167403
_cell_length_a 5.59409
_cell_length_b 10.34023
_cell_length_c 10.59836
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.69411
_cell_volume 590.19832
_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 0.39278 0.78556 0.02428 1.00000
Tb2 Tb 0.71825 0.43650 0.80745 1.00000
Tb3 Tb 0.47850 0.95700 0.73839 1.00000
Tb4 Tb 0.29961 0.59921 0.70664 1.00000
Tb5 Tb 0.98268 0.96535 0.52518 1.00000
Tb6 Tb 0.60722 0.21444 0.52428 1.00000
Tb7 Tb 0.28175 0.56350 0.30745 1.00000
Tb8 Tb 0.52150 0.04300 0.23839 1.00000
Tb9 Tb 0.70039 0.40079 0.20664 1.00000
Tb10 Tb 0.01732 0.03465 0.02518 1.00000
Pm1 Pm 0.79919 0.59837 0.51090 1.00000
Pm2 Pm 0.20081 0.40163 0.01090 1.00000
Dy1 Dy 0.58620 0.17240 0.95446 1.00000
Dy2 Dy 0.41380 0.82760 0.45446 1.00000
Er1 Er 0.88575 0.77149 0.81892 1.00000
Er2 Er 0.10923 0.21846 0.73775 1.00000
Er3 Er 0.11425 0.22851 0.31892 1.00000
Er4 Er 0.89077 0.78154 0.23775 1.00000
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