Pm2ErN6
Alexandria ALEXAlex-ID: agm097445191 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1702_spg12
ErN6 ErN PmN
2025-04-08 13:46:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097445191).
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 agm097445191
data_agm097445191
_cell_length_a 3.85265
_cell_length_b 4.81760
_cell_length_c 7.74569
_cell_angle_alpha 90.06534
_cell_angle_beta 96.27557
_cell_angle_gamma 90.00158
_cell_volume 142.90249
_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
Pm1 Pm 0.00701 0.05502 0.09348 1.00000
Pm2 Pm 0.06065 0.05587 0.55523 1.00000
Er1 Er 0.54501 0.55540 0.30280 1.00000
N1 N 0.43279 0.05547 0.86821 1.00000
N2 N 0.21644 0.55588 0.54497 1.00000
N3 N 0.03140 0.55514 0.15708 1.00000
N4 N 0.98951 0.55603 0.64365 1.00000
N5 N 0.57487 0.05543 0.31895 1.00000
N6 N 0.64232 0.05576 0.76564 1.00000
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