Li7C120

TRA

MP-ID: mp-1223102 · 空间群: Pm (#6)

Materials Project API

基础信息

化学式

Li7C120

MP-ID

mp-1223102

元素数

位点数

127

密度

1.9295

g/cm³

体积

1,282.22

Å³

晶胞参数 a

9.0750

晶胞参数 b

9.4014

晶胞参数 c

15.0289

α 角

89.70

β 角

90.00

γ 角

90.00

晶体系统

Monoclinic

Bravais 格子

点群

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

Å³

c/a 比

1.6561

电子属性

金属性

金属

带隙 (eV)

直接带隙

CBM

N/A

磁性属性

磁性

总磁矩 (μB)

0.0031

磁有序

磁性位点数

磁化强度/体积 (μB/Å³)

0.00e+0

弹性数据不可用

引用与参考

Materials Project 官方页面

https://next-gen.materialsproject.org/materials/mp-1223102

关联任务 ID (3 个)

mp-1337370 mp-1223102 mp-1847238

CIF 晶体结构 3D 渲染

加载 3D 结构...

样式: Ball & Stick | 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
  Li  Li1  1  0.00000000  0.41448700  0.24947400  1
  Li  Li2  1  0.00000000  0.58618300  0.74997500  1
  Li  Li3  1  0.50000000  0.08548400  0.25121800  1
  Li  Li4  1  0.50000000  0.52966500  0.12778200  1
  Li  Li5  1  0.50000000  0.47061600  0.87252300  1
  Li  Li6  1  0.00000000  0.97068100  0.37704400  1
  C  C7  1  0.58034900  0.20385800  0.63492800  1
  C  C8  1  0.08043600  0.70454500  0.13497800  1
  C  C9  1  0.08021500  0.29586800  0.86532200  1
  C  C10  1  0.58044600  0.79594100  0.36499500  1
  C  C11  1  0.91978500  0.29586800  0.86532200  1
  C  C12  1  0.41955400  0.79594100  0.36499500  1
  C  C13  1  0.41965100  0.20385800  0.63492800  1
  C  C14  1  0.91956400  0.70454500  0.13497800  1
  C  C15  1  0.15846300  0.94488800  0.78778100  1
  C  C16  1  0.65892500  0.44502800  0.28747600  1
  C  C17  1  0.65912800  0.55521500  0.71257700  1
  C  C18  1  0.15888800  0.05510200  0.21235700  1
  C  C19  1  0.34087200  0.55521500  0.71257700  1
  C  C20  1  0.84111200  0.05510200  0.21235700  1
  C  C21  1  0.84153700  0.94488800  0.78778100  1
  C  C22  1  0.34107500  0.44502800  0.28747600  1
  C  C23  1  0.25750000  0.74388700  0.91739900  1
  C  C24  1  0.75734300  0.24463800  0.41736900  1
  C  C25  1  0.75612000  0.75430300  0.58213300  1
  C  C26  1  0.25802700  0.25624100  0.08274200  1
  C  C27  1  0.24388000  0.75430300  0.58213300  1
  C  C28  1  0.74197300  0.25624100  0.08274200  1
  C  C29  1  0.74250000  0.74388700  0.91739900  1
  C  C30  1  0.24265700  0.24463800  0.41736900  1
  C  C31  1  0.63065500  0.14888400  0.55224000  1
  C  C32  1  0.13107700  0.64818100  0.05272500  1
  C  C33  1  0.13107000  0.35209000  0.94775300  1
  C  C34  1  0.63083500  0.85183900  0.44733500  1
  C  C35  1  0.86893000  0.35209000  0.94775300  1
  C  C36  1  0.36916500  0.85183900  0.44733500  1
  C  C37  1  0.36934500  0.14888400  0.55224000  1
  C  C38  1  0.86892300  0.64818100  0.05272500  1
  C  C39  1  0.65710600  0.31322300  0.67874000  1
  C  C40  1  0.15690800  0.81403800  0.17872700  1
  C  C41  1  0.15641000  0.18603300  0.82178500  1
  C  C42  1  0.65692300  0.68621100  0.32131100  1
  C  C43  1  0.84359000  0.18603300  0.82178500  1
  C  C44  1  0.34307700  0.68621100  0.32131100  1
  C  C45  1  0.34289400  0.31322300  0.67874000  1
  C  C46  1  0.84309200  0.81403800  0.17872700  1
  C  C47  1  0.33503600  0.87296400  0.90400200  1
  C  C48  1  0.83534600  0.37285800  0.40381600  1
  C  C49  1  0.83484900  0.62697700  0.59602900  1
  C  C50  1  0.33536000  0.12739300  0.09600300  1
  C  C51  1  0.16515100  0.62697700  0.59602900  1
  C  C52  1  0.66464000  0.12739300  0.09600300  1
  C  C53  1  0.66496400  0.87296400  0.90400200  1
  C  C54  1  0.16465400  0.37285800  0.40381600  1
  C  C55  1  0.83423700  0.32380100  0.55696500  1
  C  C56  1  0.33566000  0.82280100  0.05720400  1
  C  C57  1  0.33552800  0.17713500  0.94281200  1
  C  C58  1  0.83538000  0.67699400  0.44282000  1
  C  C59  1  0.66447200  0.17713500  0.94281200  1
  C  C60  1  0.16462000  0.67699400  0.44282000  1
  C  C61  1  0.16576300  0.32380100  0.55696500  1
  C  C62  1  0.66434000  0.82280100  0.05720400  1
  C  C63  1  0.57887600  0.42396800  0.72534700  1
  C  C64  1  0.07916700  0.92430900  0.22616900  1
  C  C65  1  0.07790600  0.07539200  0.77580100  1
  C  C66  1  0.57925300  0.57587200  0.27410400  1
  C  C67  1  0.92209400  0.07539200  0.77580100  1
  C  C68  1  0.42074700  0.57587200  0.27410400  1
  C  C69  1  0.42112400  0.42396800  0.72534700  1
  C  C70  1  0.92083300  0.92430900  0.22616900  1
  C  C71  1  0.50000000  0.08574900  0.49931900  1
  C  C72  1  0.00000000  0.58529500  0.99975400  1
  C  C73  1  0.00000000  0.41491800  0.00070200  1
  C  C74  1  0.50000000  0.91488800  0.50042600  1
  C  C75  1  0.07932700  0.81782400  0.80115900  1
  C  C76  1  0.57949700  0.31765600  0.30103900  1
  C  C77  1  0.57936800  0.68235200  0.69885700  1
  C  C78  1  0.07949100  0.18227700  0.19860700  1
  C  C79  1  0.42063200  0.68235200  0.69885700  1
  C  C80  1  0.92050900  0.18227700  0.19860700  1
  C  C81  1  0.92067300  0.81782400  0.80115900  1
  C  C82  1  0.42050300  0.31765600  0.30103900  1
  C  C83  1  0.12650800  0.71580100  0.86822000  1
  C  C84  1  0.62661400  0.21552300  0.36750200  1
  C  C85  1  0.62640900  0.78423200  0.63197000  1
  C  C86  1  0.12677800  0.28441500  0.13213000  1
  C  C87  1  0.37359100  0.78423200  0.63197000  1
  C  C88  1  0.87322200  0.28441500  0.13213000  1
  C  C89  1  0.87349200  0.71580100  0.86822000  1
  C  C90  1  0.37338600  0.21552300  0.36750200  1
  C  C91  1  0.00000000  0.64948100  0.90694900  1
  C  C92  1  0.50000000  0.14973200  0.40646100  1
  C  C93  1  0.50000000  0.85070000  0.59326200  1
  C  C94  1  0.00000000  0.35025000  0.09329600  1
  C  C95  1  0.78641200  0.37471300  0.63839800  1
  C  C96  1  0.28651800  0.87507600  0.13825800  1
  C  C97  1  0.28638900  0.12514600  0.86189400  1
  C  C98  1  0.78659800  0.62510000  0.36157000  1
  C  C99  1  0.71361100  0.12514600  0.86189400  1
  C  C100  1  0.21340200  0.62510000  0.36157000  1
  C  C101  1  0.21358800  0.37471300  0.63839800  1
  C  C102  1  0.71348200  0.87507600  0.13825800  1
  C  C103  1  0.41208600  0.91693000  0.98931000  1
  C  C104  1  0.91187400  0.41707300  0.48935500  1
  C  C105  1  0.91210900  0.58307900  0.51070700  1
  C  C106  1  0.41211200  0.08315300  0.01064000  1
  C  C107  1  0.08789100  0.58307900  0.51070700  1
  C  C108  1  0.58788800  0.08315300  0.01064000  1
  C  C109  1  0.58791400  0.91693000  0.98931000  1
  C  C110  1  0.08812600  0.41707300  0.48935500  1
  C  C111  1  0.75327500  0.21390300  0.51282800  1
  C  C112  1  0.25491000  0.71207900  0.01308300  1
  C  C113  1  0.25478200  0.28821300  0.98710800  1
  C  C114  1  0.75401600  0.78689900  0.48710000  1
  C  C115  1  0.74521800  0.28821300  0.98710800  1
  C  C116  1  0.24598400  0.78689900  0.48710000  1
  C  C117  1  0.24672500  0.21390300  0.51282800  1
  C  C118  1  0.74509000  0.71207900  0.01308300  1
  C  C119  1  0.29094400  0.97321800  0.83888000  1
  C  C120  1  0.79178700  0.47351700  0.33826400  1
  C  C121  1  0.79128800  0.52648100  0.66165000  1
  C  C122  1  0.29158100  0.02667300  0.16136100  1
  C  C123  1  0.20871200  0.52648100  0.66165000  1
  C  C124  1  0.70841900  0.02667300  0.16136100  1
  C  C125  1  0.70905600  0.97321800  0.83888000  1
  C  C126  1  0.20821300  0.47351700  0.33826400  1