Y2Hf2Np5
Alexandria ALEXAlex-ID: agm009588596 · 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
A2B2C5_199_spg12
Y Hf Np
2024-04-06 14:58:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009588596).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009588596
data_agm009588596
_cell_length_a 3.61764
_cell_length_b 6.98436
_cell_length_c 8.79716
_cell_angle_alpha 109.72533
_cell_angle_beta 91.14402
_cell_angle_gamma 95.07718
_cell_volume 208.11854
_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
Y1 Y 0.02697 0.75106 0.50988 1.00000
Y2 Y 0.97303 0.24894 0.49012 1.00000
Hf1 Hf 0.46617 0.88624 0.22273 1.00000
Hf2 Hf 0.53383 0.11376 0.77727 1.00000
Np1 Np 0.33484 0.31152 0.18539 1.00000
Np2 Np 0.66516 0.68848 0.81461 1.00000
Np3 Np 0.87376 0.51133 0.12893 1.00000
Np4 Np 0.12624 0.48867 0.87107 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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