Dy(CrN)9
Alexandria ALEXAlex-ID: agm008323239 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB9C9_2_spg2
Cr2N CrN DyN
2024-08-15 03:41:37.541614
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008323239).
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 agm008323239
data_agm008323239
_cell_length_a 5.12765
_cell_length_b 5.92709
_cell_length_c 6.68169
_cell_angle_alpha 77.07309
_cell_angle_beta 74.61826
_cell_angle_gamma 73.39002
_cell_volume 185.20706
_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
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Cr1 Cr 0.88843 0.59124 0.21345 1.00000
Cr2 Cr 0.10231 0.89245 0.79761 1.00000
Cr3 Cr 0.89769 0.10755 0.20239 1.00000
Cr4 Cr 0.11157 0.40876 0.78655 1.00000
Cr5 Cr 0.29080 0.69505 0.40634 1.00000
Cr6 Cr 0.28957 0.21533 0.40526 1.00000
Cr7 Cr 0.70920 0.30495 0.59366 1.00000
Cr8 Cr 0.50000 0.50000 0.00000 1.00000
Cr9 Cr 0.71043 0.78467 0.59474 1.00000
N1 N 0.82540 0.67676 0.89246 1.00000
N2 N 0.82923 0.21637 0.88367 1.00000
N3 N 0.17077 0.78363 0.11633 1.00000
N4 N 0.00000 0.00000 0.50000 1.00000
N5 N 0.40570 0.10549 0.67190 1.00000
N6 N 0.17460 0.32324 0.10754 1.00000
N7 N 0.58243 0.39888 0.30366 1.00000
N8 N 0.41757 0.60112 0.69634 1.00000
N9 N 0.59430 0.89451 0.32810 1.00000
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