DyMnF7
Alexandria ALEXAlex-ID: agm024142529 · 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
DyMnF7
2024-09-13 15:07:54.602132
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024142529).
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 agm024142529
data_agm024142529
_cell_length_a 5.50501
_cell_length_b 5.87545
_cell_length_c 7.99864
_cell_angle_alpha 77.14620
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 252.22817
_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 0.69796 0.34039 0.18968 1.00000
Dy2 Dy 0.19796 0.65961 0.81032 1.00000
Mn1 Mn 0.71080 0.18941 0.72273 1.00000
Mn2 Mn 0.21080 0.81059 0.27727 1.00000
F1 F 0.88033 0.56326 0.97572 1.00000
F2 F 0.38033 0.43674 0.02428 1.00000
F3 F 0.44252 0.03777 0.27253 1.00000
F4 F 0.94252 0.96223 0.72747 1.00000
F5 F 0.97280 0.03945 0.25731 1.00000
F6 F 0.47280 0.96055 0.74269 1.00000
F7 F 0.98453 0.57619 0.29328 1.00000
F8 F 0.48453 0.42381 0.70672 1.00000
F9 F 0.70219 0.22955 0.48772 1.00000
F10 F 0.20219 0.77045 0.51228 1.00000
F11 F 0.72375 0.13750 0.95731 1.00000
F12 F 0.22375 0.86250 0.04269 1.00000
F13 F 0.46135 0.59696 0.29954 1.00000
F14 F 0.96135 0.40304 0.70046 1.00000
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