Tb15Ni5Hg2
Alexandria ALEXAlex-ID: agm007987488 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C15_2_spg160
Tb12Ni5Hg Tb4NiHg Tb3Ni
2024-08-26 23:08:03.179441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007987488).
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 agm007987488
data_agm007987488
_cell_length_a 15.03724
_cell_length_b 15.03724
_cell_length_c 15.03724
_cell_angle_alpha 37.23830
_cell_angle_beta 37.23830
_cell_angle_gamma 37.23830
_cell_volume 1116.10615
_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
Tb1 Tb 0.94216 0.31936 0.31936 1.00000
Tb2 Tb 0.31936 0.94216 0.31936 1.00000
Tb3 Tb 0.31936 0.31936 0.94216 1.00000
Tb4 Tb 0.77095 0.17684 0.17684 1.00000
Tb5 Tb 0.17684 0.77095 0.17684 1.00000
Tb6 Tb 0.17684 0.17684 0.77095 1.00000
Tb7 Tb 0.70809 0.32329 0.32329 1.00000
Tb8 Tb 0.32329 0.70809 0.32329 1.00000
Tb9 Tb 0.32329 0.32329 0.70809 1.00000
Tb10 Tb 0.84648 0.47854 0.47854 1.00000
Tb11 Tb 0.47854 0.84648 0.47854 1.00000
Tb12 Tb 0.47854 0.47854 0.84648 1.00000
Tb13 Tb 0.42313 0.79512 0.79512 1.00000
Tb14 Tb 0.79512 0.42313 0.79512 1.00000
Tb15 Tb 0.79512 0.79512 0.42313 1.00000
Tb16 Tb 0.99361 0.61592 0.61592 1.00000
Tb17 Tb 0.61592 0.99361 0.61592 1.00000
Tb18 Tb 0.61592 0.61592 0.99361 1.00000
Tb19 Tb 0.13680 0.75821 0.75821 1.00000
Tb20 Tb 0.75821 0.13680 0.75821 1.00000
Tb21 Tb 0.75821 0.75821 0.13680 1.00000
Tb22 Tb 0.70742 0.08164 0.08164 1.00000
Tb23 Tb 0.08164 0.70742 0.08164 1.00000
Tb24 Tb 0.08164 0.08164 0.70742 1.00000
Tb25 Tb 0.55716 0.93987 0.93987 1.00000
Tb26 Tb 0.93987 0.55716 0.93987 1.00000
Tb27 Tb 0.93987 0.93987 0.55716 1.00000
Tb28 Tb 0.11195 0.11195 0.11195 1.00000
Tb29 Tb 0.26742 0.26742 0.26742 1.00000
Tb30 Tb 0.52345 0.52345 0.52345 1.00000
Ni1 Ni 0.20181 0.63150 0.63150 1.00000
Ni2 Ni 0.63150 0.20181 0.63150 1.00000
Ni3 Ni 0.63150 0.63150 0.20181 1.00000
Ni4 Ni 0.36851 0.93358 0.93358 1.00000
Ni5 Ni 0.93358 0.36851 0.93358 1.00000
Ni6 Ni 0.93358 0.93358 0.36851 1.00000
Ni7 Ni 0.51426 0.09003 0.09003 1.00000
Ni8 Ni 0.09003 0.51426 0.09003 1.00000
Ni9 Ni 0.09003 0.09003 0.51426 1.00000
Ni10 Ni 0.00169 0.00169 0.00169 1.00000
Hg1 Hg 0.10520 0.44680 0.44680 1.00000
Hg2 Hg 0.44680 0.10520 0.44680 1.00000
Hg3 Hg 0.44680 0.44680 0.10520 1.00000
Hg4 Hg 0.39490 0.39490 0.39490 1.00000
