PmY7Ho4
Alexandria ALEXAlex-ID: agm003665542 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_85_spg12
Y5Ho PmY2 PmHo8
2022-04-20 18:37:44.429244
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665542).
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 agm003665542
data_agm003665542
_cell_length_a 5.86507
_cell_length_b 11.63047
_cell_length_c 6.71065
_cell_angle_alpha 82.84955
_cell_angle_beta 64.08758
_cell_angle_gamma 75.39567
_cell_volume 398.37882
_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 0.00000 0.00000 1.00000
Y1 Y 0.78935 0.92248 0.49883 1.00000
Y2 Y 0.21065 0.07752 0.50117 1.00000
Y3 Y 0.05825 0.67244 0.21106 1.00000
Y4 Y 0.94175 0.32756 0.78894 1.00000
Y5 Y 0.36475 0.50367 0.76683 1.00000
Y6 Y 0.50000 0.00000 0.00000 1.00000
Y7 Y 0.63525 0.49633 0.23317 1.00000
Ho1 Ho 0.63524 0.22546 0.50406 1.00000
Ho2 Ho 0.36476 0.77454 0.49594 1.00000
Ho3 Ho 0.74999 0.68398 0.81604 1.00000
Ho4 Ho 0.25001 0.31602 0.18396 1.00000
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