BaTbZn4
Alexandria ALEXAlex-ID: agm014788959 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_19_spg141
BaTbZn4
2025-03-24 13:43:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014788959).
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 agm014788959
data_agm014788959
_cell_length_a 8.12463
_cell_length_b 4.54553
_cell_length_c 8.80553
_cell_angle_alpha 90.00000
_cell_angle_beta 117.51872
_cell_angle_gamma 90.00000
_cell_volume 288.40227
_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 0.88857 0.75000 0.27727 1.00000
Ba2 Ba 0.11143 0.25000 0.72273 1.00000
Tb1 Tb 0.35990 0.75000 0.22007 1.00000
Tb2 Tb 0.64010 0.25000 0.77993 1.00000
Zn1 Zn 0.62822 0.25000 0.41713 1.00000
Zn2 Zn 0.51916 0.25000 0.08383 1.00000
Zn3 Zn 0.71149 0.75000 0.58299 1.00000
Zn4 Zn 0.93543 0.75000 0.91624 1.00000
Zn5 Zn 0.37178 0.75000 0.58287 1.00000
Zn6 Zn 0.28851 0.25000 0.41701 1.00000
Zn7 Zn 0.48084 0.75000 0.91617 1.00000
Zn8 Zn 0.06457 0.25000 0.08376 1.00000
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