Np5Pa3V
Alexandria ALEXAlex-ID: agm072579682 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1266_spg1
Np Pa V
2024-09-25 04:53:19.040357
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072579682).
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 agm072579682
data_agm072579682
_cell_length_a 5.43951
_cell_length_b 5.81327
_cell_length_c 6.96533
_cell_angle_alpha 123.16294
_cell_angle_beta 95.11561
_cell_angle_gamma 89.40812
_cell_volume 183.44813
_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
Np1 Np 0.45586 0.42355 0.12143 1.00000
Np2 Np 0.19360 0.06269 0.39327 1.00000
Np3 Np 0.83294 0.00433 0.53792 1.00000
Np4 Np 0.56370 0.87881 0.18491 1.00000
Np5 Np 0.45025 0.04793 0.71451 1.00000
Pa1 Pa 0.97777 0.51428 0.43881 1.00000
Pa2 Pa 0.00896 0.48055 0.93799 1.00000
Pa3 Pa 0.50179 0.60193 0.71197 1.00000
V1 V 0.01513 0.98595 0.95920 1.00000
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