Li7Mn11O24
传统材料 TRAMP-ID: mp-685293 · 空间群: C2/m (#12)
基础信息
化学式
Li7Mn11O24
MP-ID
mp-685293
元素数
3
位点数
126
密度
3.9861
g/cm³
体积
1,295.84
ų
晶胞参数 a
5.8622
Å
晶胞参数 b
5.8622
Å
晶胞参数 c
53.3464
Å
α 角
59.60
°
β 角
59.60
°
γ 角
60.79
°
空间群
C2/m
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-2.01397
eV/atom
能量/原子
-7.55910
eV/atom
凸包距离
0.0536
eV/atom
未修正能量
-6.7297
eV/atom
体积/原子
10.28
ų
c/a 比
9.1001
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
Yes
总磁矩
16.9211
μB
磁有序
FiM
磁性位点数
33
磁化强度/体积
0.013060
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
O · 0.571
元素家族
N/A
溶质分数
0.429
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.522
家族
O-rich Multi-Component
基质元素
O · 0.571
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-685293
参考引用
The crystal structure and related material properties of Li7Mn11O24 were obtained from the Materials Project database (MP-ID: mp-685293, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
加载 3D 结构...
样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Li7Mn11O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86218475
_cell_length_b 5.86218507
_cell_length_c 53.34637079
_cell_angle_alpha 59.60109206
_cell_angle_beta 59.60109021
_cell_angle_gamma 60.78786718
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li7Mn11O24
_chemical_formula_sum 'Li21 Mn33 O72'
_cell_volume 1295.83884715
_cell_formula_units_Z 3
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.12948662 0.12948662 0.01174381 1.0
Li Li1 1 0.12578820 0.12578820 0.12571323 1.0
Li Li2 1 0.12578521 0.12578521 0.23556234 1.0
Li Li3 1 0.87434326 0.87434326 0.09606042 1.0
Li Li4 1 0.12706028 0.12706028 0.34677358 1.0
Li Li5 1 0.12565674 0.12565674 0.45949458 1.0
Li Li6 1 0.87293972 0.87293972 0.20878142 1.0
Li Li7 1 0.87421479 0.87421479 0.31999266 1.0
Li Li8 1 0.11450025 0.11450025 0.57072954 1.0
Li Li9 1 0.87421180 0.87421180 0.42984277 1.0
Li Li10 1 0.12652184 0.12652184 0.67906746 1.0
Li Li11 1 0.49981937 0.49981937 0.61137565 1.0
Li Li12 1 0.87051338 0.87051338 0.54381219 1.0
Li Li13 1 0.11738458 0.11738458 0.79439850 1.0
Li Li14 1 0.88798548 0.88798548 0.65137229 1.0
Li Li15 1 0.50000000 0.50000000 0.77777800 1.0
Li Li16 1 0.11201452 0.11201452 0.90418371 1.0
Li Li17 1 0.88261542 0.88261542 0.76115750 1.0
Li Li18 1 0.50018063 0.50018063 0.94417935 1.0
Li Li19 1 0.87347816 0.87347816 0.87648854 1.0
Li Li20 1 0.88549975 0.88549975 0.98482546 1.0
Mn Mn21 1 0.00294733 0.49890185 0.05444845 1.0
Mn Mn22 1 0.49890185 0.00294733 0.05444845 1.0
Mn Mn23 1 0.50622497 0.50622497 -0.00224445 1.0
Mn Mn24 1 0.50156584 0.50156584 0.05443214 1.0
Mn Mn25 1 0.00145652 0.50306612 0.16677302 1.0
Mn Mn26 1 0.49790248 0.49790248 0.11052957 1.0
Mn Mn27 1 0.49991193 0.49991193 0.16678341 1.0
Mn Mn28 1 0.00000000 0.50000000 0.27777800 1.0
Mn Mn29 1 0.50306612 0.00145652 0.16677302 1.0
Mn Mn30 1 0.49778940 0.49778940 0.22228787 1.0
Mn Mn31 1 0.50000000 0.50000000 0.27777800 1.0
Mn Mn32 1 -0.00145652 0.49693388 0.38878298 1.0
Mn Mn33 1 0.50221060 0.50221060 0.33326713 1.0
Mn Mn34 1 0.50000000 0.00000000 0.27777800 1.0
Mn Mn35 1 0.50008807 0.50008807 0.38877259 1.0
Mn Mn36 1 0.99705267 0.50109815 0.50110755 1.0
Mn Mn37 1 0.49693388 -0.00145652 0.38878298 1.0
Mn Mn38 1 0.50109815 0.99705267 0.50110755 1.0
Mn Mn39 1 0.50209752 0.50209752 0.44502543 1.0
Mn Mn40 1 0.49843416 0.49843416 0.50112386 1.0
Mn Mn41 1 0.99852996 0.49837344 0.61128064 1.0
Mn Mn42 1 0.49837344 0.99852996 0.61128064 1.0
Mn Mn43 1 0.49377503 0.49377503 0.55780045 1.0
Mn Mn44 1 -0.00397108 0.50255503 0.72213857 1.0
Mn Mn45 1 0.50261511 0.50261511 0.66580497 1.0
Mn Mn46 1 0.50255503 -0.00397108 0.72213857 1.0
Mn Mn47 1 0.50114142 0.50114142 0.72224208 1.0
Mn Mn48 1 0.00397108 0.49744497 0.83341643 1.0
Mn Mn49 1 0.49885858 0.49885858 0.83331292 1.0
Mn Mn50 1 0.00147004 0.50162656 0.94427436 1.0
Mn Mn51 1 0.49744497 0.00397108 0.83341643 1.0
Mn Mn52 1 0.50162656 0.00147004 0.94427436 1.0
Mn Mn53 1 0.49738489 0.49738489 0.88975103 1.0
O O54 1 0.26715064 0.26715064 0.02819055 1.0
O O55 1 0.26453898 0.26453898 0.07890154 1.0
O O56 1 0.27024813 0.70783138 0.02884587 1.0
O O57 1 0.70783138 0.27024813 0.02884587 1.0
O O58 1 0.28491444 0.74700712 0.07891380 1.0
O O59 1 0.26656283 0.26656283 0.13915459 1.0
O O60 1 0.74700712 0.28491444 0.07891380 1.0
O O61 1 0.26793619 0.26793619 0.19102058 1.0
O O62 1 0.26028233 0.71306408 0.14241554 1.0
O O63 1 0.73678056 0.73678056 0.03094680 1.0
O O64 1 0.73574649 0.73574649 0.08063993 1.0
O O65 1 0.71306408 0.26028233 0.14241554 1.0
O O66 1 0.26207399 0.26207399 0.25058241 1.0
O O67 1 0.29353446 0.73088729 0.19311726 1.0
O O68 1 0.73088729 0.29353446 0.19311726 1.0
O O69 1 0.73398799 0.73398799 0.14218247 1.0
O O70 1 0.26737119 0.26737119 0.30141952 1.0
O O71 1 0.25597046 0.71367378 0.24915382 1.0
O O72 1 0.71367378 0.25597046 0.24915382 1.0
O O73 1 0.73068515 0.73068515 0.19518830 1.0
O O74 1 0.28632622 0.74402954 0.30640218 1.0
O O75 1 0.26931485 0.26931485 0.36036770 1.0
O O76 1 0.26601201 0.26601201 0.41337253 1.0
O O77 1 0.74402954 0.28632622 0.30640218 1.0
O O78 1 0.26911271 0.70646554 0.36243874 1.0
O O79 1 0.73262881 0.73262881 0.25413548 1.0
O O80 1 0.70646554 0.26911271 0.36243874 1.0
O O81 1 0.73792601 0.73792601 0.30497359 1.0
O O82 1 0.26425351 0.26425351 0.47491607 1.0
O O83 1 0.28693592 0.73971767 0.41314046 1.0
O O84 1 0.25299288 0.71508556 0.47664220 1.0
O O85 1 0.26321944 0.26321944 0.52460820 1.0
O O86 1 0.73206381 0.73206381 0.36453442 1.0
O O87 1 0.73971767 0.28693592 0.41314046 1.0
O O88 1 0.71508556 0.25299288 0.47664220 1.0
O O89 1 0.73343717 0.73343717 0.41640141 1.0
O O90 1 0.25667063 0.25667063 0.58567112 1.0
O O91 1 0.29216862 0.72975187 0.52671013 1.0
O O92 1 0.25467078 0.25467078 0.63368122 1.0
O O93 1 0.72975187 0.29216862 0.52671013 1.0
O O94 1 0.73546102 0.73546102 0.47665446 1.0
O O95 1 0.25825181 0.71095672 0.58178130 1.0
O O96 1 0.73284936 0.73284936 0.52736545 1.0
O O97 1 0.71095672 0.25825181 0.58178130 1.0
O O98 1 0.28949890 0.74287342 0.63983728 1.0
O O99 1 0.26622712 0.26622712 0.69564848 1.0
O O100 1 0.26114580 0.26114580 0.74546153 1.0
O O101 1 0.74287342 0.28949890 0.63983728 1.0
O O102 1 0.27003522 0.70665647 0.69582803 1.0
O O103 1 0.74597222 0.74597222 0.58844804 1.0
O O104 1 0.70665647 0.27003522 0.69582803 1.0
O O105 1 0.74227292 0.74227292 0.63670833 1.0
O O106 1 0.24839912 0.24839912 0.81086950 1.0
O O107 1 0.29110317 0.74766491 0.74518599 1.0
O O108 1 0.26043426 0.26043426 0.85719469 1.0
O O109 1 0.73956574 0.73956574 0.69836131 1.0
O O110 1 0.25233509 0.70889683 0.81036901 1.0
O O111 1 0.74766491 0.29110317 0.74518599 1.0
O O112 1 0.70889683 0.25233509 0.81036901 1.0
O O113 1 0.75160088 0.75160088 0.74468550 1.0
O O114 1 0.25772708 0.25772708 0.91884667 1.0
O O115 1 0.29334353 0.72996478 0.85972697 1.0
O O116 1 0.25712658 0.71050110 0.91571772 1.0
O O117 1 0.25402778 0.25402778 0.96710796 1.0
O O118 1 0.72996478 0.29334353 0.85972697 1.0
O O119 1 0.73885420 0.73885420 0.81009447 1.0
O O120 1 0.71050110 0.25712658 0.91571772 1.0
O O121 1 0.73377288 0.73377288 0.85990652 1.0
O O122 1 0.28904328 0.74174819 0.97377370 1.0
O O123 1 0.74174819 0.28904328 0.97377370 1.0
O O124 1 0.74532922 0.74532922 0.92187478 1.0
O O125 1 0.74332937 0.74332937 0.96988388 1.0