Li7C120
传统材料 TRAMP-ID: mp-1223102 · 空间群: Pm (#6)
基础信息
化学式
Li7C120
MP-ID
mp-1223102
元素数
2
位点数
127
密度
1.9295
g/cm³
体积
1,282.22
ų
晶胞参数 a
9.0750
Å
晶胞参数 b
9.4014
Å
晶胞参数 c
15.0289
Å
α 角
89.70
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pm
点群
m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.31484
eV/atom
能量/原子
-9.21567
eV/atom
凸包距离
0.3315
eV/atom
未修正能量
-8.4970
eV/atom
体积/原子
10.10
ų
c/a 比
1.6561
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
No
总磁矩
0.0031
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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
C · 0.945
元素家族
N/A
溶质分数
0.055
间隙分数
0.945
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.473
家族
Binary Alloy
基质元素
C · 0.945
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-1223102
参考引用
The crystal structure and related material properties of Li7C120 were obtained from the Materials Project database (MP-ID: mp-1223102, 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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拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Li7C120
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07501000
_cell_length_b 9.40141400
_cell_length_c 15.02891099
_cell_angle_alpha 89.70001462
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li7C120
_chemical_formula_sum 'Li7 C120'
_cell_volume 1282.21794203
_cell_formula_units_Z 1
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 0.50000000 0.91525000 0.74854500 1.0
Li Li1 1 0.00000000 0.41448700 0.24947400 1.0
Li Li2 1 0.00000000 0.58618300 0.74997500 1.0
Li Li3 1 0.50000000 0.08548400 0.25121800 1.0
Li Li4 1 0.50000000 0.52966500 0.12778200 1.0
Li Li5 1 0.50000000 0.47061600 0.87252300 1.0
Li Li6 1 0.00000000 0.97068100 0.37704400 1.0
C C7 1 0.58034900 0.20385800 0.63492800 1.0
C C8 1 0.08043600 0.70454500 0.13497800 1.0
C C9 1 0.08021500 0.29586800 0.86532200 1.0
C C10 1 0.58044600 0.79594100 0.36499500 1.0
C C11 1 0.91978500 0.29586800 0.86532200 1.0
C C12 1 0.41955400 0.79594100 0.36499500 1.0
C C13 1 0.41965100 0.20385800 0.63492800 1.0
C C14 1 0.91956400 0.70454500 0.13497800 1.0
C C15 1 0.15846300 0.94488800 0.78778100 1.0
C C16 1 0.65892500 0.44502800 0.28747600 1.0
C C17 1 0.65912800 0.55521500 0.71257700 1.0
C C18 1 0.15888800 0.05510200 0.21235700 1.0
C C19 1 0.34087200 0.55521500 0.71257700 1.0
C C20 1 0.84111200 0.05510200 0.21235700 1.0
C C21 1 0.84153700 0.94488800 0.78778100 1.0
C C22 1 0.34107500 0.44502800 0.28747600 1.0
C C23 1 0.25750000 0.74388700 0.91739900 1.0
C C24 1 0.75734300 0.24463800 0.41736900 1.0
C C25 1 0.75612000 0.75430300 0.58213300 1.0
C C26 1 0.25802700 0.25624100 0.08274200 1.0
C C27 1 0.24388000 0.75430300 0.58213300 1.0
C C28 1 0.74197300 0.25624100 0.08274200 1.0
C C29 1 0.74250000 0.74388700 0.91739900 1.0
C C30 1 0.24265700 0.24463800 0.41736900 1.0
C C31 1 0.63065500 0.14888400 0.55224000 1.0
C C32 1 0.13107700 0.64818100 0.05272500 1.0
C C33 1 0.13107000 0.35209000 0.94775300 1.0
C C34 1 0.63083500 0.85183900 0.44733500 1.0
C C35 1 0.86893000 0.35209000 0.94775300 1.0
C C36 1 0.36916500 0.85183900 0.44733500 1.0
C C37 1 0.36934500 0.14888400 0.55224000 1.0
C C38 1 0.86892300 0.64818100 0.05272500 1.0
C C39 1 0.65710600 0.31322300 0.67874000 1.0
C C40 1 0.15690800 0.81403800 0.17872700 1.0
C C41 1 0.15641000 0.18603300 0.82178500 1.0
C C42 1 0.65692300 0.68621100 0.32131100 1.0
C C43 1 0.84359000 0.18603300 0.82178500 1.0
C C44 1 0.34307700 0.68621100 0.32131100 1.0
C C45 1 0.34289400 0.31322300 0.67874000 1.0
C C46 1 0.84309200 0.81403800 0.17872700 1.0
C C47 1 0.33503600 0.87296400 0.90400200 1.0
C C48 1 0.83534600 0.37285800 0.40381600 1.0
C C49 1 0.83484900 0.62697700 0.59602900 1.0
C C50 1 0.33536000 0.12739300 0.09600300 1.0
C C51 1 0.16515100 0.62697700 0.59602900 1.0
C C52 1 0.66464000 0.12739300 0.09600300 1.0
C C53 1 0.66496400 0.87296400 0.90400200 1.0
C C54 1 0.16465400 0.37285800 0.40381600 1.0
C C55 1 0.83423700 0.32380100 0.55696500 1.0
C C56 1 0.33566000 0.82280100 0.05720400 1.0
C C57 1 0.33552800 0.17713500 0.94281200 1.0
C C58 1 0.83538000 0.67699400 0.44282000 1.0
C C59 1 0.66447200 0.17713500 0.94281200 1.0
C C60 1 0.16462000 0.67699400 0.44282000 1.0
C C61 1 0.16576300 0.32380100 0.55696500 1.0
C C62 1 0.66434000 0.82280100 0.05720400 1.0
C C63 1 0.57887600 0.42396800 0.72534700 1.0
C C64 1 0.07916700 0.92430900 0.22616900 1.0
C C65 1 0.07790600 0.07539200 0.77580100 1.0
C C66 1 0.57925300 0.57587200 0.27410400 1.0
C C67 1 0.92209400 0.07539200 0.77580100 1.0
C C68 1 0.42074700 0.57587200 0.27410400 1.0
C C69 1 0.42112400 0.42396800 0.72534700 1.0
C C70 1 0.92083300 0.92430900 0.22616900 1.0
C C71 1 0.50000000 0.08574900 0.49931900 1.0
C C72 1 0.00000000 0.58529500 0.99975400 1.0
C C73 1 0.00000000 0.41491800 0.00070200 1.0
C C74 1 0.50000000 0.91488800 0.50042600 1.0
C C75 1 0.07932700 0.81782400 0.80115900 1.0
C C76 1 0.57949700 0.31765600 0.30103900 1.0
C C77 1 0.57936800 0.68235200 0.69885700 1.0
C C78 1 0.07949100 0.18227700 0.19860700 1.0
C C79 1 0.42063200 0.68235200 0.69885700 1.0
C C80 1 0.92050900 0.18227700 0.19860700 1.0
C C81 1 0.92067300 0.81782400 0.80115900 1.0
C C82 1 0.42050300 0.31765600 0.30103900 1.0
C C83 1 0.12650800 0.71580100 0.86822000 1.0
C C84 1 0.62661400 0.21552300 0.36750200 1.0
C C85 1 0.62640900 0.78423200 0.63197000 1.0
C C86 1 0.12677800 0.28441500 0.13213000 1.0
C C87 1 0.37359100 0.78423200 0.63197000 1.0
C C88 1 0.87322200 0.28441500 0.13213000 1.0
C C89 1 0.87349200 0.71580100 0.86822000 1.0
C C90 1 0.37338600 0.21552300 0.36750200 1.0
C C91 1 0.00000000 0.64948100 0.90694900 1.0
C C92 1 0.50000000 0.14973200 0.40646100 1.0
C C93 1 0.50000000 0.85070000 0.59326200 1.0
C C94 1 0.00000000 0.35025000 0.09329600 1.0
C C95 1 0.78641200 0.37471300 0.63839800 1.0
C C96 1 0.28651800 0.87507600 0.13825800 1.0
C C97 1 0.28638900 0.12514600 0.86189400 1.0
C C98 1 0.78659800 0.62510000 0.36157000 1.0
C C99 1 0.71361100 0.12514600 0.86189400 1.0
C C100 1 0.21340200 0.62510000 0.36157000 1.0
C C101 1 0.21358800 0.37471300 0.63839800 1.0
C C102 1 0.71348200 0.87507600 0.13825800 1.0
C C103 1 0.41208600 0.91693000 0.98931000 1.0
C C104 1 0.91187400 0.41707300 0.48935500 1.0
C C105 1 0.91210900 0.58307900 0.51070700 1.0
C C106 1 0.41211200 0.08315300 0.01064000 1.0
C C107 1 0.08789100 0.58307900 0.51070700 1.0
C C108 1 0.58788800 0.08315300 0.01064000 1.0
C C109 1 0.58791400 0.91693000 0.98931000 1.0
C C110 1 0.08812600 0.41707300 0.48935500 1.0
C C111 1 0.75327500 0.21390300 0.51282800 1.0
C C112 1 0.25491000 0.71207900 0.01308300 1.0
C C113 1 0.25478200 0.28821300 0.98710800 1.0
C C114 1 0.75401600 0.78689900 0.48710000 1.0
C C115 1 0.74521800 0.28821300 0.98710800 1.0
C C116 1 0.24598400 0.78689900 0.48710000 1.0
C C117 1 0.24672500 0.21390300 0.51282800 1.0
C C118 1 0.74509000 0.71207900 0.01308300 1.0
C C119 1 0.29094400 0.97321800 0.83888000 1.0
C C120 1 0.79178700 0.47351700 0.33826400 1.0
C C121 1 0.79128800 0.52648100 0.66165000 1.0
C C122 1 0.29158100 0.02667300 0.16136100 1.0
C C123 1 0.20871200 0.52648100 0.66165000 1.0
C C124 1 0.70841900 0.02667300 0.16136100 1.0
C C125 1 0.70905600 0.97321800 0.83888000 1.0
C C126 1 0.20821300 0.47351700 0.33826400 1.0