Sr8Zn4Si5Ge3O28
Alexandria ALEXAlex-ID: agm010655538 · 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
A3B4C5D8E28_0_spg1
Sr2ZnGe2O7 Sr2ZnSi2O7
2024-08-25 00:03:55.927093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010655538).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm010655538
data_agm010655538
_cell_length_a 8.21065
_cell_length_b 9.60021
_cell_length_c 9.62399
_cell_angle_alpha 66.74793
_cell_angle_beta 89.92114
_cell_angle_gamma 89.79088
_cell_volume 696.98015
_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 0.97123 0.69674 0.23784 1.00000
Sr2 Sr 0.52569 0.19418 0.74428 1.00000
Sr3 Sr 0.03034 0.30085 0.76162 1.00000
Sr4 Sr 0.47090 0.80668 0.25504 1.00000
Sr5 Sr 0.22919 0.52949 0.03464 1.00000
Sr6 Sr 0.26794 0.02671 0.54097 1.00000
Sr7 Sr 0.76749 0.47631 0.96124 1.00000
Sr8 Sr 0.72660 0.97290 0.46335 1.00000
Zn1 Zn 0.38562 0.62300 0.65824 1.00000
Zn2 Zn 0.11824 0.12121 0.15476 1.00000
Zn3 Zn 0.61653 0.37624 0.34288 1.00000
Zn4 Zn 0.88598 0.87788 0.84383 1.00000
Si1 Si 0.22181 0.92137 0.96154 1.00000
Si2 Si 0.02965 0.70743 0.64562 1.00000
Si3 Si 0.46816 0.20830 0.14533 1.00000
Si4 Si 0.97178 0.29125 0.35316 1.00000
Si5 Si 0.52941 0.79261 0.85695 1.00000
Ge1 Ge 0.72155 0.57464 0.53757 1.00000
Ge2 Ge 0.77967 0.07614 0.03881 1.00000
Ge3 Ge 0.27927 0.42487 0.46216 1.00000
O1 O 0.03329 0.55812 0.80493 1.00000
O2 O 0.46233 0.05801 0.30364 1.00000
O3 O 0.96807 0.44288 0.19584 1.00000
O4 O 0.53414 0.94157 0.69769 1.00000
O5 O 0.92277 0.66428 0.51563 1.00000
O6 O 0.57753 0.16416 0.01725 1.00000
O7 O 0.08054 0.33106 0.48467 1.00000
O8 O 0.40745 0.83563 0.97929 1.00000
O9 O 0.57841 0.71728 0.52725 1.00000
O10 O 0.92033 0.21851 0.03048 1.00000
O11 O 0.42239 0.28239 0.47217 1.00000
O12 O 0.08695 0.79218 0.96701 1.00000
O13 O 0.45015 0.63884 0.84766 1.00000
O14 O 0.06059 0.14104 0.34352 1.00000
O15 O 0.55706 0.35801 0.15439 1.00000
O16 O 0.93874 0.85689 0.65491 1.00000
O17 O 0.77623 0.91429 0.20633 1.00000
O18 O 0.72452 0.41358 0.70571 1.00000
O19 O 0.22277 0.07375 0.80696 1.00000
O20 O 0.27444 0.58719 0.29523 1.00000
O21 O 0.30710 0.43417 0.64181 1.00000
O22 O 0.19698 0.93986 0.12387 1.00000
O23 O 0.69337 0.56471 0.35844 1.00000
O24 O 0.80750 0.06669 0.85947 1.00000
O25 O 0.20692 0.76589 0.56643 1.00000
O26 O 0.29256 0.26797 0.06239 1.00000
O27 O 0.79504 0.23337 0.43366 1.00000
O28 O 0.70477 0.73890 0.94351 1.00000
