Tb3ThC2
Alexandria ALEXAlex-ID: agm005692302 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2203_spg166
Tb(ThC)2 Th Tb2C
2023-08-07 08:24:29.145929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692302).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005692302
data_agm005692302
_cell_length_a 7.24586
_cell_length_b 7.24586
_cell_length_c 7.52923
_cell_angle_alpha 61.23741
_cell_angle_beta 61.23741
_cell_angle_gamma 60.00000
_cell_volume 284.63563
_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 0.23848 0.74320 0.77984 1.00000
Tb2 Tb 0.74320 0.23848 0.77984 1.00000
Tb3 Tb 0.23848 0.23848 0.77984 1.00000
Tb4 Tb 0.25680 0.76152 0.22016 1.00000
Tb5 Tb 0.76152 0.25680 0.22016 1.00000
Tb6 Tb 0.76152 0.76152 0.22016 1.00000
Th1 Th 0.25937 0.25937 0.22190 1.00000
Th2 Th 0.74063 0.74063 0.77810 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.50000 0.00000 0.00000 1.00000
C3 C 0.50000 0.50000 0.00000 1.00000
C4 C 0.00000 0.50000 0.00000 1.00000
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