NaCuTcP
Alexandria ALEXAlex-ID: agm005215751 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1525_spg129
Na2CuP Tc2P Cu
2022-07-10 14:44:57.222088
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005215751).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005215751
data_agm005215751
_cell_length_a 3.75302
_cell_length_b 3.75302
_cell_length_c 10.87872
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 153.22813
_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
Na1 Na 0.75000 0.75000 0.27297 1.00000
Na2 Na 0.25000 0.25000 0.72703 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Cu2 Cu 0.75000 0.25000 0.50000 1.00000
Tc1 Tc 0.75000 0.25000 0.00000 1.00000
Tc2 Tc 0.25000 0.75000 0.00000 1.00000
P1 P 0.75000 0.75000 0.86075 1.00000
P2 P 0.25000 0.25000 0.13925 1.00000
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