Li4AcTb8
Alexandria ALEXAlex-ID: agm097343418 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1147_spg1
Li Ac Tb
2025-06-16 12:27:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097343418).
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 agm097343418
data_agm097343418
_cell_length_a 3.54234
_cell_length_b 11.19682
_cell_length_c 10.95600
_cell_angle_alpha 118.94602
_cell_angle_beta 89.73388
_cell_angle_gamma 91.36531
_cell_volume 380.14205
_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
Li1 Li 0.09587 0.00552 0.68505 1.00000
Li2 Li 0.16243 0.53513 0.07246 1.00000
Li3 Li 0.66532 0.46954 0.51291 1.00000
Li4 Li 0.59452 0.01032 0.51149 1.00000
Ac1 Ac 0.67277 0.99480 0.98300 1.00000
Tb1 Tb 0.15712 0.85389 0.20322 1.00000
Tb2 Tb 0.16676 0.35162 0.22122 1.00000
Tb3 Tb 0.15187 0.32015 0.65671 1.00000
Tb4 Tb 0.18639 0.72934 0.66745 1.00000
Tb5 Tb 0.66428 0.15888 0.34302 1.00000
Tb6 Tb 0.67710 0.67807 0.36268 1.00000
Tb7 Tb 0.66710 0.62147 0.88045 1.00000
Tb8 Tb 0.63849 0.27128 0.90033 1.00000
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