HoTm2N3
Alexandria ALEXAlex-ID: agm005659693 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
HoTm4N5 Ho4TmN5
2023-08-23 20:46:24.088893
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659693).
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 agm005659693
data_agm005659693
_cell_length_a 4.83407
_cell_length_b 6.83816
_cell_length_c 10.25890
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99985
_cell_volume 339.11982
_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
Ho1 Ho 0.25001 0.87456 0.08350 1.00000
Ho2 Ho 0.25001 0.37456 0.41650 1.00000
Ho3 Ho 0.74999 0.62544 0.58350 1.00000
Ho4 Ho 0.74999 0.12544 0.91650 1.00000
Tm1 Tm 0.25003 0.87500 0.74967 1.00000
Tm2 Tm 0.25003 0.37500 0.75033 1.00000
Tm3 Tm 0.24996 0.87538 0.41667 1.00000
Tm4 Tm 0.24996 0.37538 0.08333 1.00000
Tm5 Tm 0.75004 0.62462 0.91667 1.00000
Tm6 Tm 0.75004 0.12462 0.58333 1.00000
Tm7 Tm 0.74997 0.62500 0.24967 1.00000
Tm8 Tm 0.74997 0.12500 0.25033 1.00000
N1 N 0.25006 0.62721 0.58399 1.00000
N2 N 0.25006 0.12721 0.91601 1.00000
N3 N 0.24994 0.62298 0.91560 1.00000
N4 N 0.24994 0.12298 0.58440 1.00000
N5 N 0.25000 0.62512 0.25042 1.00000
N6 N 0.25000 0.12512 0.24958 1.00000
N7 N 0.75000 0.87488 0.75042 1.00000
N8 N 0.75000 0.37488 0.74958 1.00000
N9 N 0.75006 0.87702 0.41560 1.00000
N10 N 0.75006 0.37702 0.08440 1.00000
N11 N 0.74994 0.87279 0.08399 1.00000
N12 N 0.74994 0.37279 0.41601 1.00000
