Ba3(TmCo)4
Alexandria ALEXAlex-ID: agm008973752 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_30_spg2
Ba TmCo
2024-06-24 11:20:54.589771
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008973752).
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
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# CIF generated by HEAS from Alexandria entry agm008973752
data_agm008973752
_cell_length_a 9.44422
_cell_length_b 9.44422
_cell_length_c 9.44422
_cell_angle_alpha 156.01548
_cell_angle_beta 122.17488
_cell_angle_gamma 63.50239
_cell_volume 287.82440
_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
Ba1 Ba 0.89510 0.39510 0.50000 1.00000
Ba2 Ba 0.10490 0.60490 0.50000 1.00000
Ba3 Ba 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.48752 0.17030 0.31722 1.00000
Tm2 Tm 0.14692 0.82970 0.31722 1.00000
Tm3 Tm 0.51248 0.82970 0.68278 1.00000
Tm4 Tm 0.85308 0.17030 0.68278 1.00000
Co1 Co 0.26854 0.26854 0.00000 1.00000
Co2 Co 0.73146 0.73146 0.00000 1.00000
Co3 Co 0.76717 0.00000 0.76717 1.00000
Co4 Co 0.23283 0.00000 0.23283 1.00000
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