CeTmF7
Alexandria ALEXAlex-ID: agm024124226 · 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
2024-12-26 13:57:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024124226).
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 agm024124226
data_agm024124226
_cell_length_a 6.21445
_cell_length_b 5.93767
_cell_length_c 8.47142
_cell_angle_alpha 90.00000
_cell_angle_beta 103.70609
_cell_angle_gamma 90.00000
_cell_volume 303.68856
_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 0.32015 0.29604 0.72620 1.00000
Ce2 Ce 0.67985 0.79604 0.27380 1.00000
Tm1 Tm 0.14450 0.29736 0.18245 1.00000
Tm2 Tm 0.85550 0.79736 0.81755 1.00000
F1 F 0.99903 0.05163 0.99787 1.00000
F2 F 0.00097 0.55163 0.00213 1.00000
F3 F 0.40511 0.55819 0.25413 1.00000
F4 F 0.59489 0.05819 0.74587 1.00000
F5 F 0.41517 0.04652 0.25368 1.00000
F6 F 0.58483 0.54652 0.74632 1.00000
F7 F 0.93161 0.05745 0.29063 1.00000
F8 F 0.06839 0.55745 0.70937 1.00000
F9 F 0.26930 0.29939 0.46612 1.00000
F10 F 0.73070 0.79939 0.53388 1.00000
F11 F 0.36260 0.30086 0.98636 1.00000
F12 F 0.63740 0.80086 0.01364 1.00000
F13 F 0.91213 0.51534 0.28747 1.00000
F14 F 0.08787 0.01534 0.71253 1.00000
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