Sm2Ho4Te9
Alexandria ALEXAlex-ID: agm005643789 · 空间群: P-3c1 (#165)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C9_141_spg2
Sm2Te3 Ho2Te3
2023-06-17 00:57:33.679668
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643789).
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 agm005643789
data_agm005643789
_cell_length_a 7.72662
_cell_length_b 7.72722
_cell_length_c 21.13643
_cell_angle_alpha 90.00072
_cell_angle_beta 90.00741
_cell_angle_gamma 60.00865
_cell_volume 1092.98193
_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
Sm1 Sm 0.99969 0.00012 0.34462 1.00000
Sm2 Sm 0.99979 0.99976 0.15531 1.00000
Sm3 Sm 0.00031 0.99988 0.65538 1.00000
Sm4 Sm 0.00021 0.00024 0.84469 1.00000
Ho1 Ho 0.33337 0.33337 0.99102 1.00000
Ho2 Ho 0.33333 0.33329 0.49104 1.00000
Ho3 Ho 0.66663 0.66663 0.00898 1.00000
Ho4 Ho 0.33291 0.33333 0.17639 1.00000
Ho5 Ho 0.66667 0.66671 0.50896 1.00000
Ho6 Ho 0.66634 0.66658 0.32355 1.00000
Ho7 Ho 0.33366 0.33342 0.67645 1.00000
Ho8 Ho 0.66709 0.66667 0.82361 1.00000
Te1 Te 0.00020 0.31826 0.74999 1.00000
Te2 Te 0.31832 0.68185 0.75011 1.00000
Te3 Te 0.68206 0.00007 0.75004 1.00000
Te4 Te 0.99980 0.68174 0.25001 1.00000
Te5 Te 0.68168 0.31815 0.24989 1.00000
Te6 Te 0.31794 0.99993 0.24996 1.00000
Te7 Te 0.65786 0.98115 0.41666 1.00000
Te8 Te 0.98097 0.36084 0.41669 1.00000
Te9 Te 0.36047 0.65830 0.41675 1.00000
Te10 Te 0.63891 0.01881 0.08332 1.00000
Te11 Te 0.34185 0.63915 0.08330 1.00000
Te12 Te 0.01887 0.34139 0.08314 1.00000
Te13 Te 0.34214 0.01885 0.58334 1.00000
Te14 Te 0.01903 0.63916 0.58331 1.00000
Te15 Te 0.63953 0.34170 0.58325 1.00000
Te16 Te 0.36109 0.98119 0.91668 1.00000
Te17 Te 0.65815 0.36085 0.91670 1.00000
Te18 Te 0.98113 0.65861 0.91686 1.00000
