Y5(Fe2Si7)2
Alexandria ALEXAlex-ID: agm008206331 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5C14_0_spg14
YFeSi2 Y10Si17 FeSi2
2024-11-13 16:39:24.614237
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008206331).
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 agm008206331
data_agm008206331
_cell_length_a 7.85393
_cell_length_b 7.75652
_cell_length_c 12.52032
_cell_angle_alpha 81.40085
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 754.15276
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.25563 0.84332 0.63917 1.00000
Y4 Y 0.75563 0.65668 0.36083 1.00000
Y5 Y 0.74437 0.15668 0.36083 1.00000
Y6 Y 0.24437 0.34332 0.63917 1.00000
Y7 Y 0.24749 0.16459 0.36182 1.00000
Y8 Y 0.74749 0.33541 0.63818 1.00000
Y9 Y 0.75251 0.83541 0.63818 1.00000
Y10 Y 0.25251 0.66459 0.36182 1.00000
Fe1 Fe 0.37547 0.12716 0.00050 1.00000
Fe2 Fe 0.87547 0.37284 0.99950 1.00000
Fe3 Fe 0.62453 0.87284 0.99950 1.00000
Fe4 Fe 0.12453 0.62716 0.00050 1.00000
Fe5 Fe 0.99980 0.05998 0.75046 1.00000
Fe6 Fe 0.49980 0.44002 0.24954 1.00000
Fe7 Fe 0.00020 0.94002 0.24954 1.00000
Fe8 Fe 0.50020 0.55998 0.75046 1.00000
Si1 Si 0.66665 0.16506 0.00007 1.00000
Si2 Si 0.16665 0.33494 0.99993 1.00000
Si3 Si 0.33335 0.83494 0.99993 1.00000
Si4 Si 0.83335 0.66506 0.00007 1.00000
Si5 Si 0.49964 0.11471 0.55292 1.00000
Si6 Si 0.99964 0.38529 0.44708 1.00000
Si7 Si 0.50036 0.88529 0.44708 1.00000
Si8 Si 0.00036 0.61471 0.55292 1.00000
Si9 Si 0.00796 0.76912 0.82576 1.00000
Si10 Si 0.50796 0.73088 0.17424 1.00000
Si11 Si 0.99204 0.23088 0.17424 1.00000
Si12 Si 0.49204 0.26912 0.82576 1.00000
Si13 Si 0.99238 0.31494 0.82564 1.00000
Si14 Si 0.49238 0.18506 0.17436 1.00000
Si15 Si 0.00762 0.68506 0.17436 1.00000
Si16 Si 0.50762 0.81494 0.82564 1.00000
Si17 Si 0.27176 0.05064 0.82603 1.00000
Si18 Si 0.77176 0.44936 0.17397 1.00000
Si19 Si 0.72824 0.94936 0.17397 1.00000
Si20 Si 0.22824 0.55064 0.82603 1.00000
Si21 Si 0.72812 0.03485 0.82582 1.00000
Si22 Si 0.22812 0.46515 0.17418 1.00000
Si23 Si 0.27188 0.96515 0.17418 1.00000
Si24 Si 0.77188 0.53485 0.82582 1.00000
Si25 Si 0.99966 0.10534 0.56394 1.00000
Si26 Si 0.49966 0.39466 0.43606 1.00000
Si27 Si 0.00034 0.89466 0.43606 1.00000
Si28 Si 0.50034 0.60534 0.56394 1.00000
