TbGa2F8
Alexandria ALEXAlex-ID: agm005997102 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_139_spg164
TbGaF6 GaF3 Ga
2023-10-15 17:48:35.444845
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997102).
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 agm005997102
data_agm005997102
_cell_length_a 4.05416
_cell_length_b 6.73458
_cell_length_c 6.73413
_cell_angle_alpha 120.00776
_cell_angle_beta 90.00171
_cell_angle_gamma 90.00198
_cell_volume 159.21679
_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 0.00000 0.00000 0.99999 1.00000
Ga1 Ga 0.26284 0.33335 0.66672 1.00000
Ga2 Ga 0.73716 0.66665 0.33326 1.00000
F1 F 0.24164 0.66663 0.33322 1.00000
F2 F 0.75836 0.33337 0.66674 1.00000
F3 F 0.73909 0.83161 0.16668 1.00000
F4 F 0.26088 0.16671 0.33515 1.00000
F5 F 0.26094 0.66492 0.83156 1.00000
F6 F 0.26090 0.16840 0.83331 1.00000
F7 F 0.73913 0.83328 0.66483 1.00000
F8 F 0.73906 0.33508 0.16844 1.00000
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