TbTm5Mg6
Alexandria ALEXAlex-ID: agm006114473 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_95_spg12
TbTmMg2 Tm3Mg2 TbMg3
2023-09-17 16:17:56.382790
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114473).
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 agm006114473
data_agm006114473
_cell_length_a 5.33471
_cell_length_b 7.47419
_cell_length_c 8.44028
_cell_angle_alpha 90.00007
_cell_angle_beta 71.53389
_cell_angle_gamma 89.99988
_cell_volume 319.20841
_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
Mg1 Mg 0.83382 0.74872 0.33472 1.00000
Mg2 Mg 0.83376 0.25128 0.33474 1.00000
Mg3 Mg 0.50006 0.25109 0.99999 1.00000
Mg4 Mg 0.49994 0.74891 0.00001 1.00000
Mg5 Mg 0.16624 0.74872 0.66526 1.00000
Mg6 Mg 0.16618 0.25128 0.66528 1.00000
Tm1 Tm 0.66508 0.50001 0.66835 1.00000
Tm2 Tm 0.33329 0.00001 0.33509 1.00000
Tm3 Tm 0.00000 0.50000 0.00000 1.00000
Tm4 Tm 0.66671 0.99999 0.66491 1.00000
Tm5 Tm 0.33492 0.49999 0.33165 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
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