TbPmDy5Er2
Alexandria ALEXAlex-ID: agm005167404 · 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
PmDyEr4 Pm3Dy5 TbDy5 Tb2Pm3Dy
2023-01-17 21:06:16.559295
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005167404).
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 agm005167404
data_agm005167404
_cell_length_a 5.59308
_cell_length_b 10.29217
_cell_length_c 10.53046
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.76635
_cell_volume 583.37890
_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 0.80026 0.60051 0.51201 1.00000
Tb2 Tb 0.19974 0.39949 0.01201 1.00000
Pm1 Pm 0.58451 0.16902 0.95164 1.00000
Pm2 Pm 0.41549 0.83098 0.45164 1.00000
Dy1 Dy 0.38896 0.77792 0.02339 1.00000
Dy2 Dy 0.71880 0.43759 0.81155 1.00000
Dy3 Dy 0.47837 0.95675 0.73734 1.00000
Dy4 Dy 0.29876 0.59753 0.70862 1.00000
Dy5 Dy 0.98232 0.96465 0.52450 1.00000
Dy6 Dy 0.61104 0.22208 0.52339 1.00000
Dy7 Dy 0.28120 0.56241 0.31155 1.00000
Dy8 Dy 0.52163 0.04325 0.23734 1.00000
Dy9 Dy 0.70124 0.40247 0.20862 1.00000
Dy10 Dy 0.01768 0.03535 0.02450 1.00000
Er1 Er 0.88616 0.77232 0.81907 1.00000
Er2 Er 0.11071 0.22141 0.73583 1.00000
Er3 Er 0.11384 0.22768 0.31907 1.00000
Er4 Er 0.88929 0.77859 0.23583 1.00000
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