CaDy2Ho
Alexandria ALEXAlex-ID: agm005778003 · 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
ABC2_7603_spg36
Dy5Ho Dy2Ho7 Ca
2023-07-11 21:07:31.145975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778003).
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 agm005778003
data_agm005778003
_cell_length_a 3.47520
_cell_length_b 6.41979
_cell_length_c 12.10151
_cell_angle_alpha 85.95901
_cell_angle_beta 98.25538
_cell_angle_gamma 90.00000
_cell_volume 266.50990
_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 0.49867 0.24919 0.99733 1.00000
Ca2 Ca 0.50133 0.75081 0.00267 1.00000
Dy1 Dy 0.12798 0.96345 0.25596 1.00000
Dy2 Dy 0.36407 0.54553 0.72814 1.00000
Dy3 Dy 0.63593 0.45447 0.27186 1.00000
Dy4 Dy 0.87202 0.03655 0.74404 1.00000
Ho1 Ho 0.25160 0.24817 0.50321 1.00000
Ho2 Ho 0.74840 0.75183 0.49679 1.00000
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