Ca(Tb3Dy)2
Alexandria ALEXAlex-ID: agm005683361 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1984_spg2
TbDy5 Tb5Dy Ca
2023-07-06 18:59:03.229578
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683361).
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 agm005683361
data_agm005683361
_cell_length_a 6.47233
_cell_length_b 8.75959
_cell_length_c 12.07951
_cell_angle_alpha 100.76286
_cell_angle_beta 71.59464
_cell_angle_gamma 114.34806
_cell_volume 590.75005
_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 0.21384 0.06008 0.85857 1.00000
Ca2 Ca 0.78616 0.93992 0.14143 1.00000
Tb1 Tb 0.19897 0.70832 0.64106 1.00000
Tb2 Tb 0.23474 0.39855 0.10495 1.00000
Tb3 Tb 0.80103 0.29168 0.35894 1.00000
Tb4 Tb 0.76526 0.60145 0.89505 1.00000
Tb5 Tb 0.73213 0.89447 0.44660 1.00000
Tb6 Tb 0.77744 0.54894 0.17556 1.00000
Tb7 Tb 0.26787 0.10553 0.55340 1.00000
Tb8 Tb 0.22256 0.45106 0.82444 1.00000
Tb9 Tb 0.30437 0.79140 0.01902 1.00000
Tb10 Tb 0.29824 0.11251 0.25234 1.00000
Tb11 Tb 0.69563 0.20860 0.98098 1.00000
Tb12 Tb 0.70176 0.88749 0.74766 1.00000
Dy1 Dy 0.65697 0.54232 0.58678 1.00000
Dy2 Dy 0.81760 0.26691 0.65610 1.00000
Dy3 Dy 0.34303 0.45768 0.41322 1.00000
Dy4 Dy 0.18240 0.73309 0.34390 1.00000
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