DyTiF7
Alexandria ALEXAlex-ID: agm024138819 · 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
DyTiF7
2024-09-26 05:03:16.371046
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024138819).
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 agm024138819
data_agm024138819
_cell_length_a 5.61955
_cell_length_b 5.93773
_cell_length_c 8.10869
_cell_angle_alpha 76.72759
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 263.33877
_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
Dy1 Dy 0.69847 0.84339 0.19194 1.00000
Dy2 Dy 0.19847 0.15661 0.80806 1.00000
Ti1 Ti 0.70728 0.68551 0.72471 1.00000
Ti2 Ti 0.20728 0.31449 0.27529 1.00000
F1 F 0.90112 0.04641 0.98287 1.00000
F2 F 0.40112 0.95359 0.01713 1.00000
F3 F 0.44619 0.54334 0.26644 1.00000
F4 F 0.94619 0.45666 0.73356 1.00000
F5 F 0.97774 0.55680 0.25487 1.00000
F6 F 0.47774 0.44320 0.74513 1.00000
F7 F 0.97153 0.08400 0.29327 1.00000
F8 F 0.47153 0.91600 0.70673 1.00000
F9 F 0.70251 0.72868 0.48640 1.00000
F10 F 0.20251 0.27132 0.51360 1.00000
F11 F 0.71457 0.63920 0.96045 1.00000
F12 F 0.21457 0.36080 0.03955 1.00000
F13 F 0.45693 0.09431 0.29562 1.00000
F14 F 0.95693 0.90569 0.70438 1.00000
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