Np2MnSb4
Alexandria ALEXAlex-ID: agm003451069 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_181_spg115
Mn NpSb2
2022-02-18 01:40:39.672705
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003451069).
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 agm003451069
data_agm003451069
_cell_length_a 4.42087
_cell_length_b 4.42087
_cell_length_c 8.99290
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 175.75836
_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 0.50000 0.00000 0.77303 1.00000
Np2 Np 0.00000 0.50000 0.22697 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.50000 0.00000 0.14878 1.00000
Sb2 Sb 0.00000 0.50000 0.85122 1.00000
Sb3 Sb 0.50000 0.50000 0.50000 1.00000
Sb4 Sb 0.00000 0.00000 0.50000 1.00000
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