Sr2ZrFeGe2O9F
Alexandria ALEXAlex-ID: agm010342902 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2E2F9_8_spg1
Sr3Fe2(Ge2O7)2 SrF2 ZrO2
2025-03-12 11:09:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010342902).
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 agm010342902
data_agm010342902
_cell_length_a 5.74623
_cell_length_b 5.87154
_cell_length_c 7.62558
_cell_angle_alpha 104.98595
_cell_angle_beta 102.93522
_cell_angle_gamma 106.54164
_cell_volume 225.61731
_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
Sr1 Sr 0.16338 0.83774 0.78553 1.00000
Sr2 Sr 0.83639 0.16533 0.21221 1.00000
Zr1 Zr 0.50545 0.49548 0.48425 1.00000
Fe1 Fe 0.50414 0.49907 0.01174 1.00000
Ge1 Ge 0.18099 0.80762 0.24358 1.00000
Ge2 Ge 0.81728 0.19419 0.75741 1.00000
O1 O 0.58879 0.19124 0.88139 1.00000
O2 O 0.19156 0.61207 0.38747 1.00000
O3 O 0.40605 0.80967 0.11482 1.00000
O4 O 0.81138 0.39006 0.61462 1.00000
O5 O 0.24246 0.11975 0.39795 1.00000
O6 O 0.11890 0.26670 0.93010 1.00000
O7 O 0.75199 0.87818 0.61035 1.00000
O8 O 0.88060 0.73496 0.06751 1.00000
O9 O 0.58562 0.43720 0.24541 1.00000
F1 F 0.41501 0.56073 0.75567 1.00000
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