Tb2Al2Mo2C
Alexandria ALEXAlex-ID: agm024550776 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_63_spg12
Tb3AlC Tb2Mo2C3 AlMo3 TbAl2
2025-04-30 02:52:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024550776).
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 agm024550776
data_agm024550776
_cell_length_a 6.03077
_cell_length_b 6.03077
_cell_length_c 7.65694
_cell_angle_alpha 58.35320
_cell_angle_beta 121.64680
_cell_angle_gamma 145.05793
_cell_volume 133.20389
_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 0.56946 0.43054 0.77375 1.00000
Tb2 Tb 0.43054 0.56946 0.22625 1.00000
Al1 Al 0.13062 0.86938 0.15774 1.00000
Al2 Al 0.86938 0.13062 0.84226 1.00000
Mo1 Mo 0.19868 0.80132 0.56683 1.00000
Mo2 Mo 0.80132 0.19868 0.43317 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
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