Pm2TmF9
Alexandria ALEXAlex-ID: agm101931908 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_487_spg147
TmF3 PmF3
2025-05-19 15:00:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101931908).
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 agm101931908
data_agm101931908
_cell_length_a 4.32625
_cell_length_b 7.24877
_cell_length_c 6.97438
_cell_angle_alpha 58.53178
_cell_angle_beta 91.51843
_cell_angle_gamma 93.18460
_cell_volume 186.26079
_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
Pm1 Pm 0.98143 0.67604 0.58816 1.00000
Pm2 Pm 0.97922 0.34526 0.24732 1.00000
Tm1 Tm 0.89145 0.04039 0.91661 1.00000
F1 F 0.47584 0.69813 0.48601 1.00000
F2 F 0.00172 0.34816 0.58626 1.00000
F3 F 0.23390 0.58781 0.91721 1.00000
F4 F 0.77966 0.34739 0.91743 1.00000
F5 F 0.47303 0.26483 0.34888 1.00000
F6 F 0.00289 0.01632 0.24630 1.00000
F7 F 0.89134 0.69445 0.17336 1.00000
F8 F 0.89485 0.95481 0.65698 1.00000
F9 F 0.39467 0.02644 0.91547 1.00000
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