CeTmF7
Alexandria ALEXAlex-ID: agm024199065 · 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
Ce3TmF15 TmF3
2024-11-11 02:47:02.207851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024199065).
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 agm024199065
data_agm024199065
_cell_length_a 5.97202
_cell_length_b 6.18033
_cell_length_c 8.43781
_cell_angle_alpha 78.27052
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.92839
_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
Ce1 Ce 0.70261 0.33933 0.69366 1.00000
Ce2 Ce 0.20261 0.66067 0.30634 1.00000
Tm1 Tm 0.70771 0.18737 0.22812 1.00000
Tm2 Tm 0.20771 0.81263 0.77188 1.00000
F1 F 0.88736 0.54037 0.48423 1.00000
F2 F 0.38736 0.45963 0.51577 1.00000
F3 F 0.43889 0.08309 0.76380 1.00000
F4 F 0.93889 0.91691 0.23620 1.00000
F5 F 0.96119 0.07214 0.75394 1.00000
F6 F 0.46119 0.92786 0.24606 1.00000
F7 F 0.97644 0.54416 0.78681 1.00000
F8 F 0.47644 0.45584 0.21319 1.00000
F9 F 0.69915 0.24268 0.97020 1.00000
F10 F 0.19915 0.75733 0.02980 1.00000
F11 F 0.70043 0.14566 0.48695 1.00000
F12 F 0.20043 0.85434 0.51305 1.00000
F13 F 0.50258 0.60965 0.77380 1.00000
F14 F 0.00258 0.39035 0.22620 1.00000
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