Er3Sb
Alexandria ALEXAlex-ID: agm003296643 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_242_spg82
Er5Sb3 Er
2022-01-17 10:18:09.601682
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003296643).
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 agm003296643
data_agm003296643
_cell_length_a 6.06886
_cell_length_b 9.24012
_cell_length_c 9.24012
_cell_angle_alpha 83.80891
_cell_angle_beta 70.82848
_cell_angle_gamma 70.82848
_cell_volume 462.27773
_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
Er1 Er 0.36910 0.97266 0.81106 1.00000
Er2 Er 0.15282 0.02734 0.18894 1.00000
Er3 Er 0.81983 0.81106 0.02734 1.00000
Er4 Er 0.65824 0.18894 0.97266 1.00000
Er5 Er 0.55521 0.32270 0.60865 1.00000
Er6 Er 0.48656 0.67730 0.39135 1.00000
Er7 Er 0.83614 0.60865 0.67730 1.00000
Er8 Er 0.12209 0.39135 0.32270 1.00000
Er9 Er 0.96653 0.95869 0.60939 1.00000
Er10 Er 0.53461 0.04131 0.39061 1.00000
Er11 Er 0.42408 0.60939 0.04131 1.00000
Er12 Er 0.07479 0.39061 0.95869 1.00000
Sb1 Sb 0.06922 0.25661 0.65299 1.00000
Sb2 Sb 0.97882 0.74339 0.34701 1.00000
Sb3 Sb 0.27779 0.65299 0.74339 1.00000
Sb4 Sb 0.67417 0.34701 0.25661 1.00000
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