Pr4Zn12Si25
Alexandria ALEXAlex-ID: agm008539892 · 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
A4B12C25_1_spg1
Pr2(Zn2Si)3 Si
2024-06-27 15:59:39.573680
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008539892).
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 agm008539892
data_agm008539892
_cell_length_a 8.95309
_cell_length_b 9.58469
_cell_length_c 11.21421
_cell_angle_alpha 108.70881
_cell_angle_beta 112.77703
_cell_angle_gamma 101.11019
_cell_volume 783.11971
_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
Pr1 Pr 0.43839 0.08947 0.94548 1.00000
Pr2 Pr 0.96026 0.95339 0.49181 1.00000
Pr3 Pr 0.05073 0.54650 0.03179 1.00000
Pr4 Pr 0.51643 0.45202 0.54460 1.00000
Zn1 Zn 0.86283 0.39172 0.68182 1.00000
Zn2 Zn 0.12594 0.79222 0.68914 1.00000
Zn3 Zn 0.35506 0.94786 0.16027 1.00000
Zn4 Zn 0.83874 0.17592 0.75967 1.00000
Zn5 Zn 0.14015 0.29929 0.77635 1.00000
Zn6 Zn 0.44253 0.72271 0.80501 1.00000
Zn7 Zn 0.20908 0.54859 0.34574 1.00000
Zn8 Zn 0.87280 0.65937 0.22860 1.00000
Zn9 Zn 0.33765 0.22690 0.64419 1.00000
Zn10 Zn 0.70519 0.10699 0.26652 1.00000
Zn11 Zn 0.56581 0.68757 0.40393 1.00000
Zn12 Zn 0.52172 0.44590 0.17385 1.00000
Si1 Si 0.79491 0.03440 0.07970 1.00000
Si2 Si 0.79957 0.22193 0.97003 1.00000
Si3 Si 0.37624 0.97378 0.61446 1.00000
Si4 Si 0.56765 0.15340 0.56484 1.00000
Si5 Si 0.90502 0.67225 0.80277 1.00000
Si6 Si 0.47066 0.24457 0.25466 1.00000
Si7 Si 0.22742 0.75515 0.91479 1.00000
Si8 Si 0.96556 0.60588 0.43885 1.00000
Si9 Si 0.58261 0.94907 0.37679 1.00000
Si10 Si 0.07653 0.26821 0.18467 1.00000
Si11 Si 0.60155 0.72268 0.19807 1.00000
Si12 Si 0.08446 0.88930 0.25701 1.00000
Si13 Si 0.15930 0.09579 0.04241 1.00000
Si14 Si 0.20407 0.53190 0.55695 1.00000
Si15 Si 0.05341 0.04251 0.79908 1.00000
Si16 Si 0.96082 0.87586 0.02313 1.00000
Si17 Si 0.62143 0.94302 0.78316 1.00000
Si18 Si 0.01252 0.29145 0.51984 1.00000
Si19 Si 0.52731 0.49163 0.83305 1.00000
Si20 Si 0.15115 0.17079 0.37689 1.00000
Si21 Si 0.77897 0.39373 0.44005 1.00000
Si22 Si 0.67408 0.42027 0.01696 1.00000
Si23 Si 0.36295 0.56821 0.95610 1.00000
Si24 Si 0.77664 0.81755 0.67046 1.00000
Si25 Si 0.32186 0.82022 0.37652 1.00000
