YErN2
Alexandria ALEXAlex-ID: agm086596366 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_13995_spg1
ErN YN
2025-03-17 16:00:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm086596366).
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 agm086596366
data_agm086596366
_cell_length_a 5.98097
_cell_length_b 6.90700
_cell_length_c 8.45787
_cell_angle_alpha 90.00048
_cell_angle_beta 89.99960
_cell_angle_gamma 89.99815
_cell_volume 349.39948
_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 0.23322 0.70543 0.30763 1.00000
Y2 Y 0.40048 0.95598 0.97507 1.00000
Y3 Y 0.06658 0.95598 0.64096 1.00000
Y4 Y 0.56763 0.70522 0.64055 1.00000
Y5 Y 0.56753 0.20621 0.64027 1.00000
Y6 Y 0.40039 0.45544 0.97482 1.00000
Er1 Er 0.90058 0.20597 0.97509 1.00000
Er2 Er 0.06659 0.45547 0.64111 1.00000
Er3 Er 0.73448 0.45521 0.30722 1.00000
Er4 Er 0.23321 0.20600 0.30775 1.00000
Er5 Er 0.90026 0.70545 0.97471 1.00000
Er6 Er 0.73413 0.95623 0.30685 1.00000
N1 N 0.73530 0.95552 0.80977 1.00000
N2 N 0.89921 0.70407 0.47340 1.00000
N3 N 0.73790 0.45577 0.80858 1.00000
N4 N 0.23100 0.20721 0.80772 1.00000
N5 N 0.06443 0.45406 0.14113 1.00000
N6 N 0.40178 0.95725 0.47225 1.00000
N7 N 0.57124 0.70572 0.14185 1.00000
N8 N 0.06444 0.95722 0.14107 1.00000
N9 N 0.56867 0.20555 0.14299 1.00000
N10 N 0.39919 0.45410 0.47345 1.00000
N11 N 0.23101 0.70406 0.80767 1.00000
N12 N 0.90177 0.20718 0.47226 1.00000
