Np3Zn7Ge2
Alexandria ALEXAlex-ID: agm024355224 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Np2Zn17 Np2ZnGe5 Np2Ge
2025-05-17 18:14:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024355224).
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 agm024355224
data_agm024355224
_cell_length_a 5.31287
_cell_length_b 5.32311
_cell_length_c 9.16888
_cell_angle_alpha 75.29465
_cell_angle_beta 75.24925
_cell_angle_gamma 63.29487
_cell_volume 221.07401
_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 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.87646 0.87783 0.44582 1.00000
Np3 Np 0.12354 0.12217 0.55418 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.92435 0.43157 0.24724 1.00000
Zn3 Zn 0.43109 0.92489 0.24637 1.00000
Zn4 Zn 0.41264 0.41221 0.26147 1.00000
Zn5 Zn 0.07565 0.56843 0.75276 1.00000
Zn6 Zn 0.58736 0.58779 0.73853 1.00000
Zn7 Zn 0.56891 0.07511 0.75363 1.00000
Ge1 Ge 0.65254 0.65031 0.00865 1.00000
Ge2 Ge 0.34746 0.34969 0.99135 1.00000
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