Y17Er
Alexandria ALEXAlex-ID: agm062154685 · 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
AB17_3_spg12
Y15Er Y
2025-02-03 09:13:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062154685).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm062154685
data_agm062154685
_cell_length_a 6.20220
_cell_length_b 6.20220
_cell_length_c 17.47559
_cell_angle_alpha 86.61534
_cell_angle_beta 93.38466
_cell_angle_gamma 60.00710
_cell_volume 578.14540
_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
Y1 Y 0.11064 0.88936 0.83196 1.00000
Y2 Y 0.88936 0.11064 0.16804 1.00000
Y3 Y 0.27689 0.72311 0.33427 1.00000
Y4 Y 0.72311 0.27689 0.66573 1.00000
Y5 Y 0.94471 0.38753 0.33428 1.00000
Y6 Y 0.38753 0.94471 0.66572 1.00000
Y7 Y 0.61247 0.05529 0.33428 1.00000
Y8 Y 0.05529 0.61247 0.66572 1.00000
Y9 Y 0.22273 0.44393 0.16818 1.00000
Y10 Y 0.55607 0.77727 0.16818 1.00000
Y11 Y 0.44393 0.22273 0.83182 1.00000
Y12 Y 0.77727 0.55607 0.83182 1.00000
Y13 Y 0.50000 0.50000 0.00000 1.00000
Y14 Y 0.16659 0.16659 0.00000 1.00000
Y15 Y 0.83341 0.83341 0.00000 1.00000
Y16 Y 0.66666 0.66666 0.50000 1.00000
Y17 Y 0.33334 0.33334 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
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