ThInF7
Alexandria ALEXAlex-ID: agm024188986 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
ThInF7
2024-12-03 04:01:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024188986).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm024188986
data_agm024188986
_cell_length_a 6.21490
_cell_length_b 6.01725
_cell_length_c 8.49031
_cell_angle_alpha 90.00000
_cell_angle_beta 101.40774
_cell_angle_gamma 90.00000
_cell_volume 311.23646
_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
Th1 Th 0.83379 0.24455 0.30176 1.00000
Th2 Th 0.16621 0.74455 0.69824 1.00000
In1 In 0.69117 0.23991 0.77227 1.00000
In2 In 0.30883 0.73991 0.22773 1.00000
F1 F 0.96686 0.53719 0.48582 1.00000
F2 F 0.03314 0.03719 0.51418 1.00000
F3 F 0.57066 0.51316 0.23904 1.00000
F4 F 0.42934 0.01316 0.76096 1.00000
F5 F 0.73013 0.24640 0.02227 1.00000
F6 F 0.26987 0.74640 0.97773 1.00000
F7 F 0.55719 0.98538 0.24485 1.00000
F8 F 0.44281 0.48538 0.75515 1.00000
F9 F 0.09888 0.46018 0.21345 1.00000
F10 F 0.90112 0.96018 0.78655 1.00000
F11 F 0.94864 0.47132 0.79097 1.00000
F12 F 0.05136 0.97132 0.20903 1.00000
F13 F 0.64480 0.23922 0.52071 1.00000
F14 F 0.35520 0.73922 0.47929 1.00000
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