TmV2F8
Alexandria ALEXAlex-ID: agm005998166 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1485_spg12
TmVF6 VF2
2023-10-17 15:43:36.145532
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998166).
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 agm005998166
data_agm005998166
_cell_length_a 4.30288
_cell_length_b 6.14538
_cell_length_c 7.21120
_cell_angle_alpha 125.92809
_cell_angle_beta 89.99701
_cell_angle_gamma 91.76475
_cell_volume 154.29638
_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
F1 F 0.24544 0.81951 0.40973 1.00000
F2 F 0.75456 0.18049 0.59024 1.00000
F3 F 0.75341 0.79835 0.12294 1.00000
F4 F 0.24658 0.20146 0.32453 1.00000
F5 F 0.25609 0.63836 0.81914 1.00000
F6 F 0.24659 0.20166 0.87705 1.00000
F7 F 0.75342 0.79853 0.67545 1.00000
F8 F 0.74391 0.36164 0.18086 1.00000
Tm1 Tm 0.00000 0.00000 0.99999 1.00000
V1 V 0.25841 0.24127 0.62064 1.00000
V2 V 0.74159 0.75873 0.37934 1.00000
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