PmDyY5Er2
Alexandria ALEXAlex-ID: agm005154444 · 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
Pm2DyY6 Dy5Er4 PmDyEr4 Y5Er
2023-01-26 03:44:10.360788
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154444).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005154444
data_agm005154444
_cell_length_a 5.62126
_cell_length_b 10.45707
_cell_length_c 10.48723
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.59155
_cell_volume 593.77460
_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
Pm1 Pm 0.80341 0.60683 0.51439 1.00000
Pm2 Pm 0.19659 0.39317 0.01439 1.00000
Dy1 Dy 0.58721 0.17442 0.94939 1.00000
Dy2 Dy 0.41279 0.82558 0.44939 1.00000
Y1 Y 0.38908 0.77817 0.02503 1.00000
Y2 Y 0.72198 0.44395 0.81513 1.00000
Y3 Y 0.47832 0.95665 0.73730 1.00000
Y4 Y 0.30107 0.60215 0.70542 1.00000
Y5 Y 0.98377 0.96754 0.52267 1.00000
Y6 Y 0.61092 0.22183 0.52503 1.00000
Y7 Y 0.27802 0.55605 0.31513 1.00000
Y8 Y 0.52168 0.04335 0.23730 1.00000
Y9 Y 0.69893 0.39785 0.20542 1.00000
Y10 Y 0.01623 0.03246 0.02267 1.00000
Er1 Er 0.88750 0.77499 0.81884 1.00000
Er2 Er 0.11083 0.22165 0.73579 1.00000
Er3 Er 0.11250 0.22501 0.31884 1.00000
Er4 Er 0.88917 0.77835 0.23579 1.00000
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