Cs2Pa(GeO3)2
Alexandria ALEXAlex-ID: agm004576582 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_0_spg12
Cs4Ge3O8 CsPaO3 Cs6Ge10O23 Ge
2022-06-24 13:53:25.281495
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576582).
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 agm004576582
data_agm004576582
_cell_length_a 6.09809
_cell_length_b 6.09856
_cell_length_c 7.28964
_cell_angle_alpha 110.75595
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99747
_cell_volume 214.22755
_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 0.72794 0.45587 0.17359 1.00000
Cs2 Cs 0.27206 0.54413 0.82641 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.92015 0.84031 0.78935 1.00000
Ge2 Ge 0.07985 0.15969 0.21065 1.00000
O1 O 0.72559 0.45117 0.64231 1.00000
O2 O 0.25261 0.02530 0.29653 1.00000
O3 O 0.22731 0.97470 0.70347 1.00000
O4 O 0.74739 0.97470 0.70347 1.00000
O5 O 0.77269 0.02530 0.29653 1.00000
O6 O 0.27441 0.54883 0.35769 1.00000
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