Tb3CO
Alexandria ALEXAlex-ID: agm005803760 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7458_spg15
Tb3CO2 Tb Tb2C
2023-07-03 04:02:56.883466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803760).
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 agm005803760
data_agm005803760
_cell_length_a 6.25220
_cell_length_b 9.24085
_cell_length_c 9.24085
_cell_angle_alpha 80.41213
_cell_angle_beta 108.17720
_cell_angle_gamma 108.17720
_cell_volume 480.51850
_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 0.59460 0.20275 0.97130 1.00000
Tb2 Tb 0.90540 0.02870 0.79725 1.00000
Tb3 Tb 0.40540 0.79725 0.02870 1.00000
Tb4 Tb 0.09460 0.97130 0.20275 1.00000
Tb5 Tb 0.86919 0.60386 0.12179 1.00000
Tb6 Tb 0.63081 0.87821 0.39614 1.00000
Tb7 Tb 0.13081 0.39614 0.87821 1.00000
Tb8 Tb 0.36919 0.12179 0.60386 1.00000
Tb9 Tb 0.45314 0.51883 0.30756 1.00000
Tb10 Tb 0.04686 0.69244 0.48117 1.00000
Tb11 Tb 0.54686 0.48117 0.69244 1.00000
Tb12 Tb 0.95314 0.30756 0.51883 1.00000
C1 C 0.25000 0.21160 0.78840 1.00000
C2 C 0.75000 0.78840 0.21160 1.00000
C3 C 0.25000 0.75183 0.24817 1.00000
C4 C 0.75000 0.24817 0.75183 1.00000
O1 O 0.82018 0.48193 0.34637 1.00000
O2 O 0.67982 0.65363 0.51807 1.00000
O3 O 0.17982 0.51807 0.65363 1.00000
O4 O 0.32018 0.34637 0.48193 1.00000
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