Ce2YVN5
Alexandria ALEXAlex-ID: agm005152907 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_216_spg36
Ce3(VN3)2 CeN2 YN
2023-01-17 02:06:12.635267
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152907).
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 agm005152907
data_agm005152907
_cell_length_a 3.41417
_cell_length_b 7.15428
_cell_length_c 10.59241
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.80454
_cell_volume 251.25615
_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
Ce1 Ce 0.85508 0.71016 0.78747 1.00000
Ce2 Ce 0.12069 0.24138 0.70169 1.00000
Ce3 Ce 0.14492 0.28984 0.28747 1.00000
Ce4 Ce 0.87931 0.75862 0.20169 1.00000
Y1 Y 0.79475 0.58950 0.50049 1.00000
Y2 Y 0.20525 0.41050 0.00049 1.00000
V1 V 0.49823 0.99647 0.97092 1.00000
V2 V 0.50177 0.00353 0.47092 1.00000
N1 N 0.37313 0.74626 0.01478 1.00000
N2 N 0.69406 0.38813 0.84845 1.00000
N3 N 0.48928 0.97857 0.80224 1.00000
N4 N 0.28781 0.57562 0.66087 1.00000
N5 N 0.96462 0.92924 0.53706 1.00000
N6 N 0.62687 0.25374 0.51478 1.00000
N7 N 0.30594 0.61187 0.34845 1.00000
N8 N 0.51072 0.02143 0.30224 1.00000
N9 N 0.71219 0.42438 0.16087 1.00000
N10 N 0.03538 0.07076 0.03706 1.00000
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