TlVSn2F8
Alexandria ALEXAlex-ID: agm004909796 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_411_spg2
TlVF4 SnF2
2022-12-23 06:24:05.787818
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909796).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004909796
data_agm004909796
_cell_length_a 5.30954
_cell_length_b 5.13158
_cell_length_c 8.00249
_cell_angle_alpha 86.81109
_cell_angle_beta 83.60598
_cell_angle_gamma 88.94546
_cell_volume 216.33047
_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
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.51333 0.51241 0.76038 1.00000
Sn2 Sn 0.48667 0.48759 0.23962 1.00000
F1 F 0.18874 0.81957 0.17287 1.00000
F2 F 0.71316 0.74606 0.05647 1.00000
F3 F 0.85721 0.23248 0.17913 1.00000
F4 F 0.81126 0.18043 0.82713 1.00000
F5 F 0.28684 0.25394 0.94353 1.00000
F6 F 0.14279 0.76752 0.82087 1.00000
F7 F 0.61435 0.71813 0.42031 1.00000
F8 F 0.38565 0.28187 0.57969 1.00000
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