Gd3Te2NO
Alexandria ALEXAlex-ID: agm005248191 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D3_4_spg62
Gd3Te2NO
2023-05-12 01:53:01.150729
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248191).
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 agm005248191
data_agm005248191
_cell_length_a 4.10708
_cell_length_b 12.22625
_cell_length_c 13.52307
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 679.04954
_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
Gd1 Gd 0.25000 0.62148 0.52208 1.00000
Gd2 Gd 0.25000 0.87852 0.02208 1.00000
Gd3 Gd 0.75000 0.37852 0.47792 1.00000
Gd4 Gd 0.75000 0.12148 0.97792 1.00000
Gd5 Gd 0.25000 0.35188 0.68913 1.00000
Gd6 Gd 0.25000 0.14812 0.18913 1.00000
Gd7 Gd 0.75000 0.64812 0.31087 1.00000
Gd8 Gd 0.75000 0.85188 0.81087 1.00000
Gd9 Gd 0.25000 0.61427 0.89509 1.00000
Gd10 Gd 0.25000 0.88573 0.39509 1.00000
Gd11 Gd 0.75000 0.38573 0.10491 1.00000
Gd12 Gd 0.75000 0.11427 0.60491 1.00000
Te1 Te 0.25000 0.07295 0.77196 1.00000
Te2 Te 0.25000 0.42705 0.27196 1.00000
Te3 Te 0.75000 0.92705 0.22804 1.00000
Te4 Te 0.75000 0.57295 0.72804 1.00000
Te5 Te 0.25000 0.34762 0.93358 1.00000
Te6 Te 0.25000 0.15238 0.43358 1.00000
Te7 Te 0.75000 0.65238 0.06642 1.00000
Te8 Te 0.75000 0.84762 0.56642 1.00000
N1 N 0.25000 0.78906 0.86960 1.00000
N2 N 0.25000 0.71094 0.36960 1.00000
N3 N 0.75000 0.21094 0.13040 1.00000
N4 N 0.75000 0.28906 0.63040 1.00000
O1 O 0.25000 0.43303 0.54067 1.00000
O2 O 0.25000 0.06697 0.04067 1.00000
O3 O 0.75000 0.56697 0.45933 1.00000
O4 O 0.75000 0.93303 0.95933 1.00000
