PuNbTcGe2
Alexandria ALEXAlex-ID: agm005017071 · 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_1563_spg119
Pu2Tc3Ge4 Pu4Tc7Ge6 NbTcGe Pu2Nb3Ge4
2022-07-04 07:06:59.540401
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005017071).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005017071
data_agm005017071
_cell_length_a 4.00031
_cell_length_b 4.00031
_cell_length_c 6.55602
_cell_angle_alpha 107.76339
_cell_angle_beta 107.76339
_cell_angle_gamma 90.00000
_cell_volume 94.64501
_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
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.25000 0.75000 0.50000 1.00000
Tc1 Tc 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.60667 0.60667 0.21334 1.00000
Ge2 Ge 0.39333 0.39333 0.78666 1.00000
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