Al4Si19
Alexandria ALEXAlex-ID: agm005259917 · 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
A4B19_1_spg1
Si Al
2023-05-18 23:44:32.672363
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259917).
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 agm005259917
data_agm005259917
_cell_length_a 10.34384
_cell_length_b 10.05747
_cell_length_c 10.53189
_cell_angle_alpha 86.52859
_cell_angle_beta 90.92139
_cell_angle_gamma 84.13585
_cell_volume 1087.65560
_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
Al1 Al 0.26125 0.49066 0.99960 1.00000
Al2 Al 0.97762 0.77444 0.49729 1.00000
Al3 Al 0.49622 0.98456 0.75460 1.00000
Al4 Al 0.91086 0.29336 0.01656 1.00000
Al5 Al 0.05542 0.12039 0.30939 1.00000
Al6 Al 0.30309 0.93642 0.13923 1.00000
Al7 Al 0.46928 0.82528 0.36270 1.00000
Al8 Al 0.82084 0.39219 0.49835 1.00000
Si1 Si 0.74557 0.49767 0.00370 1.00000
Si2 Si 0.02981 0.24985 0.50394 1.00000
Si3 Si 0.48272 0.05030 0.23683 1.00000
Si4 Si 0.83995 0.19175 0.82153 1.00000
Si5 Si 0.25329 0.18315 0.19174 1.00000
Si6 Si 0.78076 0.81268 0.16826 1.00000
Si7 Si 0.17039 0.80010 0.81793 1.00000
Si8 Si 0.33454 0.33352 0.33215 1.00000
Si9 Si 0.69514 0.32796 0.68617 1.00000
Si10 Si 0.66806 0.68258 0.31121 1.00000
Si11 Si 0.30630 0.67693 0.67596 1.00000
Si12 Si 0.11895 0.80339 0.17333 1.00000
Si13 Si 0.79708 0.83063 0.80285 1.00000
Si14 Si 0.21068 0.15980 0.82356 1.00000
Si15 Si 0.82469 0.14888 0.19115 1.00000
Si16 Si 0.66420 0.70126 0.67798 1.00000
Si17 Si 0.28823 0.69067 0.30763 1.00000
Si18 Si 0.33598 0.30366 0.69384 1.00000
Si19 Si 0.70631 0.29997 0.32122 1.00000
Si20 Si 0.15094 0.28295 0.00280 1.00000
Si21 Si 0.85651 0.69443 0.99062 1.00000
Si22 Si 0.08622 0.68145 0.99545 1.00000
Si23 Si 0.02258 0.12032 0.69935 1.00000
Si24 Si 0.98618 0.89281 0.69385 1.00000
Si25 Si 0.94438 0.90620 0.28590 1.00000
Si26 Si 0.69523 0.03265 0.87849 1.00000
Si27 Si 0.66779 0.02180 0.10205 1.00000
Si28 Si 0.31451 0.94709 0.90040 1.00000
Si29 Si 0.52648 0.19981 0.39697 1.00000
Si30 Si 0.53245 0.19414 0.62290 1.00000
Si31 Si 0.46305 0.81569 0.59913 1.00000
Si32 Si 0.20437 0.38252 0.51005 1.00000
Si33 Si 0.18358 0.62203 0.49871 1.00000
Si34 Si 0.79336 0.63854 0.49981 1.00000
Si35 Si 0.38967 0.51237 0.19539 1.00000
Si36 Si 0.62191 0.49620 0.19467 1.00000
Si37 Si 0.39364 0.48913 0.80582 1.00000
Si38 Si 0.61992 0.50781 0.80891 1.00000
