TbTmZn4
Alexandria ALEXAlex-ID: agm003751677 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1114_spg123
TbZn2 TmZn2
2022-04-19 10:49:23.030878
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003751677).
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 agm003751677
data_agm003751677
_cell_length_a 3.72957
_cell_length_b 3.80256
_cell_length_c 9.66869
_cell_angle_alpha 90.03594
_cell_angle_beta 89.99916
_cell_angle_gamma 89.98572
_cell_volume 137.12040
_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 0.50147 0.49755 0.99815 1.00000
Tm1 Tm 0.00136 0.99707 0.49813 1.00000
Zn1 Zn 0.50109 0.99757 0.25003 1.00000
Zn2 Zn 0.50134 0.99716 0.74604 1.00000
Zn3 Zn 0.00126 0.49709 0.74390 1.00000
Zn4 Zn 0.00127 0.49729 0.25259 1.00000
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