NpTcGe2Ru
Alexandria ALEXAlex-ID: agm005016007 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_49_spg119
Np4Tc7Ge6 Np4Ge6Ru7 NpGe3 Ge3Ru2
2022-07-04 07:11:14.098730
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005016007).
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 agm005016007
data_agm005016007
_cell_length_a 4.26213
_cell_length_b 4.26213
_cell_length_c 5.82435
_cell_angle_alpha 111.46231
_cell_angle_beta 111.46231
_cell_angle_gamma 90.00000
_cell_volume 90.53800
_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
Tc1 Tc 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.62631 0.62631 0.25262 1.00000
Ge2 Ge 0.37369 0.37369 0.74738 1.00000
Ru1 Ru 0.25000 0.75000 0.50000 1.00000
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