Cs2NaGe
Alexandria ALEXAlex-ID: agm005494753 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_234_spg122
Cs Na CsGe
2023-03-19 02:44:46.167931
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005494753).
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 agm005494753
data_agm005494753
_cell_length_a 13.34517
_cell_length_b 13.34517
_cell_length_c 13.34517
_cell_angle_alpha 156.51497
_cell_angle_beta 156.51497
_cell_angle_gamma 33.45402
_cell_volume 377.08902
_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
Cs1 Cs 0.12012 0.62500 0.99512 1.00000
Cs2 Cs 0.62988 0.12500 0.00488 1.00000
Cs3 Cs 0.37500 0.37012 0.49512 1.00000
Cs4 Cs 0.87500 0.87988 0.50488 1.00000
Na1 Na 0.25000 0.75000 0.50000 1.00000
Na2 Na 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.75000 0.25000 0.50000 1.00000
Ge2 Ge 0.00000 0.00000 0.00000 1.00000
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