Tb6SmHo2Tm3
Alexandria ALEXAlex-ID: agm004658917 · 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
AB2C3D6_178_spg12
Tb5Sm Tb2Sm HoTm5 Tb2Ho
2022-06-29 20:16:15.600173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004658917).
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 agm004658917
data_agm004658917
_cell_length_a 6.13125
_cell_length_b 6.13125
_cell_length_c 11.72256
_cell_angle_alpha 94.98256
_cell_angle_beta 94.98256
_cell_angle_gamma 119.95144
_cell_volume 376.02807
_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 0.91534 0.58157 0.74781 1.00000
Tb2 Tb 0.75080 0.75080 0.25205 1.00000
Tb3 Tb 0.08466 0.41843 0.25219 1.00000
Tb4 Tb 0.58157 0.91534 0.74781 1.00000
Tb5 Tb 0.24920 0.24920 0.74795 1.00000
Tb6 Tb 0.41843 0.08466 0.25219 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.33333 0.66667 0.00000 1.00000
Ho2 Ho 0.66667 0.33333 0.00000 1.00000
Tm1 Tm 0.16681 0.83319 0.50000 1.00000
Tm2 Tm 0.83319 0.16681 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
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