Dy2Y5HoEr
Alexandria ALEXAlex-ID: agm005154502 · 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
Y5Er Dy2Ho7 Dy5Ho
2023-01-19 17:10:11.198652
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005154502).
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 agm005154502
data_agm005154502
_cell_length_a 5.59013
_cell_length_b 10.36588
_cell_length_c 10.53290
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.64289
_cell_volume 587.73855
_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
Dy1 Dy 0.88769 0.77537 0.81648 1.00000
Dy2 Dy 0.11086 0.22171 0.73701 1.00000
Dy3 Dy 0.11231 0.22463 0.31648 1.00000
Dy4 Dy 0.88914 0.77829 0.23701 1.00000
Y1 Y 0.38444 0.76888 0.02257 1.00000
Y2 Y 0.72128 0.44255 0.81482 1.00000
Y3 Y 0.48018 0.96036 0.73848 1.00000
Y4 Y 0.30054 0.60107 0.70583 1.00000
Y5 Y 0.98263 0.96525 0.52098 1.00000
Y6 Y 0.61556 0.23112 0.52257 1.00000
Y7 Y 0.27872 0.55745 0.31482 1.00000
Y8 Y 0.51982 0.03964 0.23848 1.00000
Y9 Y 0.69946 0.39893 0.20583 1.00000
Y10 Y 0.01737 0.03475 0.02098 1.00000
Ho1 Ho 0.80323 0.60646 0.51281 1.00000
Ho2 Ho 0.19677 0.39354 0.01281 1.00000
Er1 Er 0.58812 0.17624 0.95501 1.00000
Er2 Er 0.41188 0.82376 0.45501 1.00000
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