Ca(Y3Ho)2
Alexandria ALEXAlex-ID: agm005679470 · 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_636_spg71
YHo8 Y5Ho Ca
2023-07-06 14:54:38.032810
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679470).
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 agm005679470
data_agm005679470
_cell_length_a 3.56710
_cell_length_b 10.17461
_cell_length_c 10.17461
_cell_angle_alpha 56.89328
_cell_angle_beta 80.04151
_cell_angle_gamma 80.04150
_cell_volume 303.28333
_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
Ca1 Ca 0.00023 0.00006 0.00006 1.00000
Y1 Y 0.32696 0.99226 0.35386 1.00000
Y2 Y 0.67220 0.00784 0.64603 1.00000
Y3 Y 0.67220 0.64603 0.00784 1.00000
Y4 Y 0.50048 0.33238 0.66757 1.00000
Y5 Y 0.50048 0.66757 0.33238 1.00000
Y6 Y 0.32696 0.35386 0.99226 1.00000
Ho1 Ho 0.14530 0.35258 0.35258 1.00000
Ho2 Ho 0.85519 0.64742 0.64742 1.00000
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