Tb6Mg2NO
Alexandria ALEXAlex-ID: agm004923965 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_1_spg225
Tb3N2O Tb Tb2Mg Tb2O3
2022-07-29 02:55:25.857675
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004923965).
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
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# CIF generated by HEAS from Alexandria entry agm004923965
data_agm004923965
_cell_length_a 6.89824
_cell_length_b 6.89822
_cell_length_c 6.89527
_cell_angle_alpha 59.98146
_cell_angle_beta 59.98137
_cell_angle_gamma 89.98739
_cell_volume 231.90818
_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
Tb1 Tb 0.25237 0.25236 0.49524 1.00000
Tb2 Tb 0.74765 0.74745 0.99998 1.00000
Tb3 Tb 0.25252 0.74769 0.00000 1.00000
Tb4 Tb 0.74748 0.25231 0.00000 1.00000
Tb5 Tb 0.25235 0.25254 0.00002 1.00000
Tb6 Tb 0.74763 0.74764 0.50476 1.00000
Mg1 Mg 0.75000 0.25005 0.49995 1.00000
Mg2 Mg 0.25000 0.74995 0.50004 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
O1 O 1.00000 1.00000 0.00000 1.00000
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