Y4Ge9Pd13
Alexandria ALEXAlex-ID: agm008596271 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B9C13_0_spg59
Y5Ge7Pd9 Y(GePd)2 Y6Ge19Pd30
2024-11-14 20:23:46.587950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008596271).
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 agm008596271
data_agm008596271
_cell_length_a 3.97030
_cell_length_b 11.60638
_cell_length_c 19.92278
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 918.05877
_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 0.50000 0.01888 1.00000
Y2 Y 0.50000 0.00000 0.98112 1.00000
Y3 Y 0.50000 0.18586 0.79345 1.00000
Y4 Y 0.00000 0.31414 0.20655 1.00000
Y5 Y 0.00000 0.68586 0.20655 1.00000
Y6 Y 0.50000 0.81414 0.79345 1.00000
Y7 Y 0.50000 0.50000 0.47428 1.00000
Y8 Y 0.00000 0.00000 0.52572 1.00000
Ge1 Ge 0.00000 0.18349 0.91720 1.00000
Ge2 Ge 0.50000 0.00000 0.40304 1.00000
Ge3 Ge 0.00000 0.50000 0.59696 1.00000
Ge4 Ge 0.00000 0.00000 0.09945 1.00000
Ge5 Ge 0.50000 0.50000 0.90055 1.00000
Ge6 Ge 0.50000 0.81933 0.58333 1.00000
Ge7 Ge 0.00000 0.68067 0.41667 1.00000
Ge8 Ge 0.00000 0.31933 0.41667 1.00000
Ge9 Ge 0.50000 0.31651 0.08280 1.00000
Ge10 Ge 0.50000 0.68349 0.08280 1.00000
Ge11 Ge 0.00000 0.81651 0.91720 1.00000
Ge12 Ge 0.50000 0.50000 0.26500 1.00000
Ge13 Ge 0.50000 0.18067 0.58333 1.00000
Ge14 Ge 0.00000 0.00000 0.73500 1.00000
Ge15 Ge 0.00000 0.36476 0.73321 1.00000
Ge16 Ge 0.00000 0.63524 0.73321 1.00000
Ge17 Ge 0.50000 0.86476 0.26679 1.00000
Ge18 Ge 0.50000 0.13524 0.26679 1.00000
Pd1 Pd 0.00000 0.19788 0.04450 1.00000
Pd2 Pd 0.00000 0.69141 0.54119 1.00000
Pd3 Pd 0.00000 0.30859 0.54119 1.00000
Pd4 Pd 0.50000 0.19141 0.45881 1.00000
Pd5 Pd 0.00000 0.87522 0.35394 1.00000
Pd6 Pd 0.50000 0.62478 0.64606 1.00000
Pd7 Pd 0.50000 0.37522 0.64606 1.00000
Pd8 Pd 0.00000 0.12478 0.35394 1.00000
Pd9 Pd 0.50000 0.30212 0.95550 1.00000
Pd10 Pd 0.50000 0.69788 0.95550 1.00000
Pd11 Pd 0.00000 0.80212 0.04450 1.00000
Pd12 Pd 0.00000 0.50000 0.34609 1.00000
Pd13 Pd 0.50000 0.00000 0.65391 1.00000
Pd14 Pd 0.50000 0.50000 0.14236 1.00000
Pd15 Pd 0.00000 0.00000 0.85764 1.00000
Pd16 Pd 0.50000 0.50000 0.77075 1.00000
Pd17 Pd 0.00000 0.00000 0.22925 1.00000
Pd18 Pd 0.00000 0.18239 0.66690 1.00000
Pd19 Pd 0.50000 0.31761 0.33310 1.00000
Pd20 Pd 0.50000 0.68239 0.33310 1.00000
Pd21 Pd 0.00000 0.81761 0.66690 1.00000
Pd22 Pd 0.50000 0.12483 0.14169 1.00000
Pd23 Pd 0.00000 0.37517 0.85831 1.00000
Pd24 Pd 0.00000 0.62483 0.85831 1.00000
Pd25 Pd 0.50000 0.87517 0.14169 1.00000
Pd26 Pd 0.50000 0.80859 0.45881 1.00000
