Cs2Sr(CdGe)2
Alexandria ALEXAlex-ID: agm023086749 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_144_spg166
Cs3Cd2 SrCdGe Sr3Cd11 CsGe
2025-05-20 11:26:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023086749).
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 agm023086749
data_agm023086749
_cell_length_a 4.79627
_cell_length_b 4.79627
_cell_length_c 14.67820
_cell_angle_alpha 80.55449
_cell_angle_beta 99.44551
_cell_angle_gamma 120.00331
_cell_volume 287.11424
_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 0.89007 0.10993 0.17513 1.00000
Cs2 Cs 0.10993 0.89007 0.82487 1.00000
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.28717 0.71283 0.36316 1.00000
Cd2 Cd 0.71283 0.28717 0.63684 1.00000
Ge1 Ge 0.38058 0.61942 0.63995 1.00000
Ge2 Ge 0.61942 0.38058 0.36005 1.00000
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