Pm(Y3Co)2
Alexandria ALEXAlex-ID: agm005698027 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1464_spg71
Y3Co Pm
2023-07-06 21:56:38.183685
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698027).
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 agm005698027
data_agm005698027
_cell_length_a 8.58407
_cell_length_b 8.58407
_cell_length_c 8.58407
_cell_angle_alpha 108.71192
_cell_angle_beta 106.88129
_cell_angle_gamma 112.87986
_cell_volume 485.50284
_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
Pm1 Pm 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.48838 0.29645 0.19193 1.00000
Y2 Y 0.51162 0.70355 0.80807 1.00000
Y3 Y 0.89548 0.70355 0.19193 1.00000
Y4 Y 0.10452 0.29645 0.80807 1.00000
Y5 Y 0.22806 0.77941 0.00747 1.00000
Y6 Y 0.77194 0.22059 0.99253 1.00000
Y7 Y 0.77194 0.77941 0.55135 1.00000
Y8 Y 0.22806 0.22059 0.44865 1.00000
Y9 Y 0.30088 0.99462 0.69374 1.00000
Y10 Y 0.69912 0.00538 0.30626 1.00000
Y11 Y 0.69912 0.39286 0.69374 1.00000
Y12 Y 0.30088 0.60714 0.30626 1.00000
Co1 Co 0.50000 0.39038 0.89038 1.00000
Co2 Co 0.50000 0.60962 0.10962 1.00000
Co3 Co 0.38731 1.00000 0.38731 1.00000
Co4 Co 0.61269 0.00000 0.61269 1.00000
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