Ho3Er2ZrN6
Alexandria ALEXAlex-ID: agm040250970 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_28_spg12
Ho5ZrN6 Er5ZrN6
2024-12-11 03:58:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040250970).
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 agm040250970
data_agm040250970
_cell_length_a 7.60174
_cell_length_b 7.60174
_cell_length_c 6.82036
_cell_angle_alpha 77.01869
_cell_angle_beta 102.98131
_cell_angle_gamma 154.15314
_cell_volume 167.19965
_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
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.83387 0.16613 0.16668 1.00000
Ho3 Ho 0.16613 0.83387 0.83332 1.00000
Er1 Er 0.83384 0.16616 0.66690 1.00000
Er2 Er 0.16616 0.83384 0.33310 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
N1 N 0.33945 0.66055 0.91915 1.00000
N2 N 0.66639 0.33361 0.58314 1.00000
N3 N 0.66055 0.33945 0.08085 1.00000
N4 N 0.99987 0.00013 0.23729 1.00000
N5 N 0.00013 0.99987 0.76271 1.00000
N6 N 0.33361 0.66639 0.41686 1.00000
获取直接链接