Na8Cd4Cu
Alexandria ALEXAlex-ID: agm097964465 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1614_spg8
Na6Cd7 Na Cu
2025-06-16 23:02:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097964465).
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 agm097964465
data_agm097964465
_cell_length_a 4.27881
_cell_length_b 10.08194
_cell_length_c 10.18191
_cell_angle_alpha 59.90389
_cell_angle_beta 90.00230
_cell_angle_gamma 102.34733
_cell_volume 368.23169
_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 0.21872 0.20751 0.10336 1.00000
Na2 Na 0.40142 0.57109 0.21450 1.00000
Na3 Na 0.43901 0.64975 0.67412 1.00000
Na4 Na 0.21348 0.19696 0.69298 1.00000
Na5 Na 0.55788 0.88459 0.31011 1.00000
Na6 Na 0.73833 0.24677 0.37786 1.00000
Na7 Na 0.79870 0.37144 0.80937 1.00000
Na8 Na 0.55339 0.87532 0.81327 1.00000
Cd1 Cd 0.04589 0.85499 0.07490 1.00000
Cd2 Cd 0.90019 0.57067 0.97653 1.00000
Cd3 Cd 0.90523 0.58114 0.44619 1.00000
Cd4 Cd 0.08949 0.95058 0.52620 1.00000
Cu1 Cu 0.63828 0.03918 0.98060 1.00000
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