Li6Mn7Rh5O24
Alexandria ALEXAlex-ID: agm018564807 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B6C7D24_0_spg2
LiMn2O4 LiMnRhO4
2024-11-15 07:14:51.531567
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018564807).
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 agm018564807
data_agm018564807
_cell_length_a 5.97497
_cell_length_b 6.02901
_cell_length_c 13.26946
_cell_angle_alpha 102.64874
_cell_angle_beta 102.91244
_cell_angle_gamma 89.08198
_cell_volume 454.34034
_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
Li1 Li 0.03472 0.28539 0.58313 1.00000
Li2 Li 0.96528 0.71461 0.41687 1.00000
Li3 Li 0.37810 0.62710 0.25114 1.00000
Li4 Li 0.29742 0.04430 0.08298 1.00000
Li5 Li 0.70258 0.95570 0.91702 1.00000
Li6 Li 0.62190 0.37290 0.74886 1.00000
Mn1 Mn 0.66935 0.17175 0.33313 1.00000
Mn2 Mn 0.16991 0.17275 0.33358 1.00000
Mn3 Mn 0.84331 0.34006 0.16811 1.00000
Mn4 Mn 0.00000 0.50000 0.00000 1.00000
Mn5 Mn 0.15669 0.65994 0.83189 1.00000
Mn6 Mn 0.33065 0.82825 0.66687 1.00000
Mn7 Mn 0.83009 0.82725 0.66642 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.50000 0.00000 0.50000 1.00000
Rh3 Rh 0.84423 0.84000 0.16851 1.00000
Rh4 Rh 0.50000 0.50000 0.00000 1.00000
Rh5 Rh 0.15577 0.16000 0.83149 1.00000
O1 O 0.27606 0.75879 0.51298 1.00000
O2 O 0.73937 0.75254 0.51304 1.00000
O3 O 0.26063 0.24746 0.48696 1.00000
O4 O 0.72394 0.24121 0.48702 1.00000
O5 O 0.40773 0.94825 0.33723 1.00000
O6 O 0.41625 0.38812 0.33724 1.00000
O7 O 0.92795 0.39800 0.32204 1.00000
O8 O 0.92431 0.95745 0.33072 1.00000
O9 O 0.62353 0.10867 0.17588 1.00000
O10 O 0.07149 0.10246 0.17747 1.00000
O11 O 0.06096 0.56939 0.15618 1.00000
O12 O 0.61932 0.57805 0.16206 1.00000
O13 O 0.76933 0.27939 0.01147 1.00000
O14 O 0.76189 0.72445 0.00685 1.00000
O15 O 0.23067 0.72061 0.98853 1.00000
O16 O 0.23811 0.27555 0.99315 1.00000
O17 O 0.93904 0.43061 0.84382 1.00000
O18 O 0.38068 0.42195 0.83794 1.00000
O19 O 0.92851 0.89754 0.82253 1.00000
O20 O 0.37647 0.89133 0.82412 1.00000
O21 O 0.07569 0.04255 0.66928 1.00000
O22 O 0.07205 0.60200 0.67796 1.00000
O23 O 0.59227 0.05175 0.66277 1.00000
O24 O 0.58375 0.61188 0.66276 1.00000
