Na8CuBi4
Alexandria ALEXAlex-ID: agm097943941 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1733_spg38
Na3Bi Cu NaBi
2025-06-17 00:01:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097943941).
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 agm097943941
data_agm097943941
_cell_length_a 3.83467
_cell_length_b 10.32638
_cell_length_c 11.02817
_cell_angle_alpha 117.94743
_cell_angle_beta 99.95536
_cell_angle_gamma 89.84045
_cell_volume 378.41989
_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 0.61901 0.14081 0.31572 1.00000
Na2 Na 0.86152 0.19640 0.80629 1.00000
Na3 Na 0.65260 0.73438 0.38037 1.00000
Na4 Na 0.86549 0.63212 0.80708 1.00000
Na5 Na 0.06361 0.39019 0.19397 1.00000
Na6 Na 0.27410 0.35392 0.61967 1.00000
Na7 Na 0.05629 0.82507 0.19286 1.00000
Na8 Na 0.30263 0.82514 0.68424 1.00000
Cu1 Cu 0.46039 0.82501 0.99994 1.00000
Bi1 Bi 0.95878 0.01028 0.99996 1.00000
Bi2 Bi 0.22037 0.02187 0.52070 1.00000
Bi3 Bi 0.46203 0.54359 0.99997 1.00000
Bi4 Bi 0.70318 0.50122 0.47922 1.00000
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