YIrF7
Alexandria ALEXAlex-ID: agm024207079 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_7_spg14
YIrF7
2024-12-03 04:03:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024207079).
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 agm024207079
data_agm024207079
_cell_length_a 8.93080
_cell_length_b 5.57737
_cell_length_c 11.98506
_cell_angle_alpha 90.00000
_cell_angle_beta 117.47843
_cell_angle_gamma 90.00000
_cell_volume 529.63167
_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
Y1 Y 0.31342 0.73984 0.73445 1.00000
Y2 Y 0.68658 0.26016 0.26555 1.00000
Y3 Y 0.68658 0.23984 0.76555 1.00000
Y4 Y 0.31342 0.76016 0.23445 1.00000
Ir1 Ir 0.22646 0.24278 0.95594 1.00000
Ir2 Ir 0.77354 0.75722 0.04406 1.00000
Ir3 Ir 0.77354 0.74278 0.54406 1.00000
Ir4 Ir 0.22646 0.25722 0.45594 1.00000
F1 F 0.20463 0.05693 0.58238 1.00000
F2 F 0.79537 0.94307 0.41762 1.00000
F3 F 0.79537 0.55693 0.91762 1.00000
F4 F 0.20463 0.44307 0.08238 1.00000
F5 F 0.22943 0.53107 0.86230 1.00000
F6 F 0.77057 0.46893 0.13770 1.00000
F7 F 0.77057 0.03107 0.63770 1.00000
F8 F 0.22943 0.96893 0.36230 1.00000
F9 F 0.24594 0.04704 0.82648 1.00000
F10 F 0.75406 0.95296 0.17352 1.00000
F11 F 0.75406 0.54704 0.67352 1.00000
F12 F 0.24594 0.45296 0.32648 1.00000
F13 F 0.98090 0.23231 0.85791 1.00000
F14 F 0.01910 0.76769 0.14209 1.00000
F15 F 0.01910 0.73231 0.64209 1.00000
F16 F 0.98090 0.26769 0.35791 1.00000
F17 F 0.78217 0.05263 0.95602 1.00000
F18 F 0.21783 0.94737 0.04398 1.00000
F19 F 0.21783 0.55263 0.54398 1.00000
F20 F 0.78217 0.44737 0.45602 1.00000
F21 F 0.47204 0.25774 0.55028 1.00000
F22 F 0.52796 0.74226 0.44972 1.00000
F23 F 0.52796 0.75774 0.94972 1.00000
F24 F 0.47204 0.24226 0.05028 1.00000
F25 F 0.47074 0.41672 0.76825 1.00000
F26 F 0.52926 0.58328 0.23175 1.00000
F27 F 0.52926 0.91672 0.73175 1.00000
F28 F 0.47074 0.08328 0.26825 1.00000
