Th2Zr2Np5
Alexandria ALEXAlex-ID: agm009010938 · 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_485_spg2
Th Zr Np
2024-03-09 06:41:21.727617
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009010938).
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 agm009010938
data_agm009010938
_cell_length_a 3.41779
_cell_length_b 5.69783
_cell_length_c 11.43696
_cell_angle_alpha 84.66532
_cell_angle_beta 82.83545
_cell_angle_gamma 109.81705
_cell_volume 205.70312
_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
Th1 Th 0.34890 0.33266 0.68520 1.00000
Th2 Th 0.65110 0.66734 0.31480 1.00000
Zr1 Zr 0.51972 0.84208 0.77943 1.00000
Zr2 Zr 0.48028 0.15792 0.22057 1.00000
Np1 Np 0.18270 0.63690 0.06682 1.00000
Np2 Np 0.81730 0.36310 0.93318 1.00000
Np3 Np 0.14862 0.84748 0.53084 1.00000
Np4 Np 0.85138 0.15252 0.46916 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
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