Y7ErO12
Alexandria ALEXAlex-ID: agm013166993 · 空间群: I2_12_12_1 (#24)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_12_spg24
Y2O3 Er2O3
2025-02-01 06:31:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013166993).
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 agm013166993
data_agm013166993
_cell_length_a 9.25145
_cell_length_b 9.25145
_cell_length_c 9.25145
_cell_angle_alpha 109.47600
_cell_angle_beta 109.45811
_cell_angle_gamma 109.47955
_cell_volume 609.54831
_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 0.25000 0.46738 0.21738 1.00000
Y2 Y 0.00058 0.99930 0.99965 1.00000
Y3 Y 0.53269 0.28269 0.25000 1.00000
Y4 Y 0.96731 0.21731 0.75000 1.00000
Y5 Y 0.21799 0.25000 0.46799 1.00000
Y6 Y 0.71670 0.25000 0.96670 1.00000
Y7 Y 0.49965 0.00093 0.50035 1.00000
Y8 Y 0.00035 0.50070 0.50128 1.00000
Y9 Y 0.49942 0.49907 0.99872 1.00000
Y10 Y 0.75000 0.03262 0.28262 1.00000
Y11 Y 0.28201 0.75000 0.03201 1.00000
Y12 Y 0.78330 0.75000 0.53330 1.00000
Y13 Y 0.46798 0.71798 0.75000 1.00000
Y14 Y 0.03202 0.78202 0.25000 1.00000
Er1 Er 0.25000 0.96706 0.71706 1.00000
Er2 Er 0.75000 0.53294 0.78294 1.00000
O1 O 0.77211 0.26150 0.22956 1.00000
O2 O 0.96806 0.23850 0.01061 1.00000
O3 O 0.72983 0.77100 0.76116 1.00000
O4 O 0.22913 0.46866 0.95703 1.00000
O5 O 0.50984 0.96867 0.73884 1.00000
O6 O 0.01163 0.27210 0.54297 1.00000
O7 O 0.72789 0.95745 0.48939 1.00000
O8 O 0.53194 0.54255 0.27044 1.00000
O9 O 0.45509 0.22683 0.96629 1.00000
O10 O 0.95755 0.98860 0.22812 1.00000
O11 O 0.23952 0.51140 0.46896 1.00000
O12 O 0.73946 0.27317 0.72826 1.00000
O13 O 0.26048 0.72944 0.27188 1.00000
O14 O 0.54245 0.77056 0.03104 1.00000
O15 O 0.76054 0.48880 0.53371 1.00000
O16 O 0.04491 0.01120 0.77174 1.00000
O17 O 0.47131 0.45773 0.72877 1.00000
O18 O 0.27104 0.04227 0.51358 1.00000
O19 O 0.48837 0.03134 0.26048 1.00000
O20 O 0.99016 0.72900 0.45883 1.00000
O21 O 0.27087 0.22790 0.23952 1.00000
O22 O 0.77017 0.53133 0.04117 1.00000
O23 O 0.22896 0.74254 0.77123 1.00000
O24 O 0.02869 0.75746 0.98642 1.00000
