Dy3(NpV)4
Alexandria ALEXAlex-ID: agm010063264 · 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
A3B4C4_363_spg2
Dy Np V
2024-03-09 02:15:43.454908
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010063264).
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 agm010063264
data_agm010063264
_cell_length_a 3.17532
_cell_length_b 6.18311
_cell_length_c 12.15092
_cell_angle_alpha 105.95811
_cell_angle_beta 91.29780
_cell_angle_gamma 103.85176
_cell_volume 221.69645
_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 0.30682 0.65650 0.74324 1.00000
Dy2 Dy 0.69266 0.34301 0.25655 1.00000
Dy3 Dy 0.99649 0.00067 0.99975 1.00000
Np1 Np 0.63706 0.39641 0.91382 1.00000
Np2 Np 0.36532 0.60503 0.08632 1.00000
Np3 Np 0.52815 0.84456 0.41148 1.00000
Np4 Np 0.47206 0.15485 0.58865 1.00000
V1 V 0.09243 0.09745 0.74516 1.00000
V2 V 0.18468 0.30914 0.46347 1.00000
V3 V 0.81528 0.68998 0.53643 1.00000
V4 V 0.90919 0.90255 0.25512 1.00000
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