C
传统材料 TRAMP-ID: mp-1245190 · 空间群: P1 (#1)
基础信息
化学式
C
MP-ID
mp-1245190
元素数
1
位点数
100
密度
1.7836
g/cm³
体积
1,118.18
ų
晶胞参数 a
10.2055
Å
晶胞参数 b
10.4197
Å
晶胞参数 c
10.5378
Å
α 角
91.36
°
β 角
93.48
°
γ 角
89.62
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
1.01495
eV/atom
能量/原子
-8.93229
eV/atom
凸包距离
1.0150
eV/atom
未修正能量
-8.2137
eV/atom
体积/原子
11.18
ų
c/a 比
1.0326
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
4.1176
μB
磁有序
FM
磁性位点数
3
磁化强度/体积
0.003680
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 · 1.000
元素家族
N/A
溶质分数
0.000
间隙分数
1.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.373
家族
Pure Metal
基质元素
C · 1.000
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-1245190
参考引用
The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-1245190, 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_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.20551591
_cell_length_b 10.41973578
_cell_length_c 10.53784370
_cell_angle_alpha 91.36441009
_cell_angle_beta 93.48189683
_cell_angle_gamma 89.61530976
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C100
_cell_volume 1118.18017356
_cell_formula_units_Z 100
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
C C0 1 0.02002400 0.72901100 0.74481900 1.0
C C1 1 0.95553600 0.66796900 0.64579500 1.0
C C2 1 0.37661600 0.46369600 0.72629300 1.0
C C3 1 0.74940900 0.28983700 0.86757000 1.0
C C4 1 0.88980200 0.70026400 0.95675500 1.0
C C5 1 0.26114900 0.97901500 0.62647700 1.0
C C6 1 0.79809100 0.35051800 0.43157100 1.0
C C7 1 0.18868600 0.20406300 0.87338600 1.0
C C8 1 0.20848400 0.71559200 0.10589200 1.0
C C9 1 0.21285100 0.90297600 0.25622000 1.0
C C10 1 0.92123600 0.21882700 0.59946700 1.0
C C11 1 0.87830800 0.34010900 0.55313500 1.0
C C12 1 0.42793400 0.99340400 0.44631000 1.0
C C13 1 0.50631600 0.08380900 0.38298300 1.0
C C14 1 0.42886300 0.44259700 0.86123900 1.0
C C15 1 0.12438800 0.60410200 0.90906500 1.0
C C16 1 0.84286400 0.87826900 0.27986600 1.0
C C17 1 0.02118700 0.05333700 0.20387000 1.0
C C18 1 0.39720700 0.98970800 0.57420200 1.0
C C19 1 0.90790300 0.95109400 0.77245500 1.0
C C20 1 0.09900200 0.84325900 0.71438100 1.0
C C21 1 0.46301000 0.79115300 0.77477000 1.0
C C22 1 0.55339400 0.33203400 0.64510900 1.0
C C23 1 0.44987600 0.87827200 0.00818000 1.0
C C24 1 0.25252200 0.50457500 0.72719800 1.0
C C25 1 0.86665700 0.61777100 0.19262400 1.0
C C26 1 0.22607100 0.29946800 0.34177900 1.0
C C27 1 0.89451100 0.38381800 0.31244400 1.0
C C28 1 0.09592200 0.97319000 0.31107200 1.0
C C29 1 0.14965000 0.02692300 0.53995000 1.0
C C30 1 0.07621600 0.00058400 0.08663700 1.0
C C31 1 0.82891700 0.98798900 0.34854500 1.0
C C32 1 0.66415300 0.81655300 0.92886300 1.0
C C33 1 0.51583700 0.55803100 0.17065600 1.0
C C34 1 0.08488800 0.82943100 0.94829800 1.0
C C35 1 0.02343400 0.70966500 0.88842000 1.0
C C36 1 0.02245600 0.02019000 0.57509700 1.0
C C37 1 0.65688900 0.23298200 0.80368200 1.0
C C38 1 0.52591600 0.52237900 0.91125200 1.0
C C39 1 0.33359400 0.84502200 0.94909200 1.0
C C40 1 0.23059100 0.87326000 0.71534300 1.0
C C41 1 0.86051200 0.47317100 0.99501700 1.0
C C42 1 0.86242600 0.56850900 0.42932700 1.0
C C43 1 0.57373900 0.87483400 0.00062400 1.0
C C44 1 0.17261800 0.54393800 0.80843600 1.0
C C45 1 0.58813000 0.20148100 0.39748100 1.0
C C46 1 0.17391400 0.06130000 0.40419700 1.0
C C47 1 0.14257200 0.65390800 0.30243500 1.0
C C48 1 0.96210100 0.39758000 0.64623800 1.0
C C49 1 0.25228200 0.36272600 0.00769000 1.0
C C50 1 0.37315900 0.07160200 0.67217500 1.0
C C51 1 0.82260200 0.37219900 0.93475700 1.0
C C52 1 0.74180700 0.48425500 0.42514200 1.0
C C53 1 0.24046200 0.48183700 0.08614200 1.0
C C54 1 0.81722200 0.75251800 0.23467400 1.0
C C55 1 0.42519900 0.48756700 0.24724600 1.0
C C56 1 0.91569600 0.10773700 0.52796400 1.0
C C57 1 0.19025500 0.59515400 0.03817200 1.0
C C58 1 0.00001000 0.94783100 0.68577600 1.0
C C59 1 0.02670200 0.18523800 0.25985100 1.0
C C60 1 0.32603500 0.23134700 0.84211100 1.0
C C61 1 0.62312600 0.51337100 0.36434100 1.0
C C62 1 0.57892700 0.74870900 0.82738400 1.0
C C63 1 0.30454500 0.00251400 0.35165000 1.0
C C64 1 0.34101700 0.82673200 0.80379500 1.0
C C65 1 0.87489700 0.59243100 0.04765500 1.0
C C66 1 0.29536300 0.47290000 0.21715100 1.0
C C67 1 0.35181200 0.34508100 0.91748400 1.0
C C68 1 0.94712600 0.28559900 0.25779200 1.0
C C69 1 0.95495700 0.96238000 0.28490100 1.0
C C70 1 0.21266800 0.83093900 0.02402300 1.0
C C71 1 0.48910300 0.30430800 0.36941500 1.0
C C72 1 0.16275300 0.26071500 0.99826800 1.0
C C73 1 0.80872800 0.80581300 0.93394900 1.0
C C74 1 0.91079000 0.62784800 0.53616300 1.0
C C75 1 0.20183700 0.74839700 0.23862800 1.0
C C76 1 0.53962100 0.23416900 0.73167800 1.0
C C77 1 0.81226400 0.10036700 0.42984400 1.0
C C78 1 0.61496400 0.60112500 0.25668800 1.0
C C79 1 0.50839000 0.43326800 0.34895400 1.0
C C80 1 0.09128800 0.53443400 0.30831100 1.0
C C81 1 0.49354300 0.45208000 0.65232500 1.0
C C82 1 0.38430500 0.11636700 0.31644300 1.0
C C83 1 0.58141800 0.24614500 0.09395500 1.0
C C84 1 0.93499100 0.52707700 0.30651400 1.0
C C85 1 0.09271800 0.22087600 0.78486200 1.0
C C86 1 0.54451300 0.49354100 0.04746300 1.0
C C87 1 0.40809700 0.17429900 0.75291200 1.0
C C88 1 0.00818500 0.27047200 0.70262200 1.0
C C89 1 0.72382300 0.21388000 0.41418100 1.0
C C90 1 0.57155600 0.55398300 0.69461700 1.0
C C91 1 0.19363900 0.42786900 0.29772100 1.0
C C92 1 0.13908700 0.19542800 0.35195200 1.0
C C93 1 0.57990800 0.60759900 0.81287400 1.0
C C94 1 0.36105500 0.24764600 0.33542400 1.0
C C95 1 0.19272300 0.93824800 0.11752800 1.0
C C96 1 0.01177800 0.93548500 0.97442000 1.0
C C97 1 0.88673800 0.92018900 0.89181800 1.0
C C98 1 0.56057700 0.36448500 0.07028300 1.0
C C99 1 0.73087900 0.66057200 0.22583000 1.0