C
传统材料 TRAMP-ID: mp-568028 · 空间群: Pnnm (#58)
基础信息
化学式
C
MP-ID
mp-568028
元素数
1
位点数
120
密度
2.1820
g/cm³
体积
1,096.82
ų
晶胞参数 a
9.5412
Å
晶胞参数 b
8.2184
Å
晶胞参数 c
13.9878
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnnm
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
0.53086
eV/atom
能量/原子
-9.41637
eV/atom
凸包距离
0.5309
eV/atom
未修正能量
-8.6978
eV/atom
体积/原子
9.14
ų
c/a 比
1.4660
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
0.0000
μB
磁有序
Unknown
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 · 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
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-568028
参考引用
The crystal structure and related material properties of C were obtained from the Materials Project database (MP-ID: mp-568028, 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 9.54116000
_cell_length_b 8.21842155
_cell_length_c 13.98774552
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C120
_cell_volume 1096.82493547
_cell_formula_units_Z 120
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 0.28371682 0.85135886 0.85297075 1.0
C C1 1 0.35221549 0.18355799 0.55434849 1.0
C C2 1 0.83466803 0.77543434 0.78734351 1.0
C C3 1 0.32535316 0.81016802 0.04264759 1.0
C C4 1 0.12045855 0.31949161 0.88247460 1.0
C C5 1 0.71628318 0.85135886 0.85297075 1.0
C C6 1 0.67464684 0.18983198 0.95735241 1.0
C C7 1 0.14778451 0.68355799 0.94565151 1.0
C C8 1 0.92794924 0.30244933 0.14081021 1.0
C C9 1 0.71628318 0.14864114 0.14702925 1.0
C C10 1 0.64778451 0.18355799 0.55434849 1.0
C C11 1 0.17464684 0.31016802 0.45735241 1.0
C C12 1 0.64778451 0.81644201 0.44565151 1.0
C C13 1 0.28371682 0.14864114 0.14702925 1.0
C C14 1 0.87531537 0.92842816 0.25092557 1.0
C C15 1 0.50000000 0.20886105 0.32242555 1.0
C C16 1 0.57380464 0.85757926 0.52620510 1.0
C C17 1 0.23970146 0.76909925 0.12299249 1.0
C C18 1 0.22378639 0.27165761 0.55124240 1.0
C C19 1 0.42986520 0.91935804 0.08756884 1.0
C C20 1 0.12045855 0.68050839 0.11752540 1.0
C C21 1 0.23623232 0.63526218 0.71401154 1.0
C C22 1 0.00000000 0.29113895 0.82242555 1.0
C C23 1 0.33466803 0.72456566 0.28734351 1.0
C C24 1 0.87954145 0.68050839 0.11752540 1.0
C C25 1 0.07013480 0.41935804 0.41243116 1.0
C C26 1 0.26029854 0.73090075 0.62299249 1.0
C C27 1 0.37954145 0.81949161 0.61752540 1.0
C C28 1 0.82535316 0.31016802 0.45735241 1.0
C C29 1 0.35221549 0.81644201 0.44565151 1.0
C C30 1 0.42794924 0.19755067 0.64081021 1.0
C C31 1 0.00000000 0.82940798 0.24365947 1.0
C C32 1 0.57380464 0.14242074 0.47379490 1.0
C C33 1 0.32535316 0.18983198 0.95735241 1.0
C C34 1 0.26029854 0.26909925 0.37700751 1.0
C C35 1 0.07380564 0.35757926 0.97379490 1.0
C C36 1 0.85221549 0.31644201 0.05434849 1.0
C C37 1 0.72378639 0.77165761 0.94875760 1.0
C C38 1 0.33466803 0.27543434 0.71265649 1.0
C C39 1 0.21628318 0.35135886 0.64702925 1.0
C C40 1 0.57013480 0.08064196 0.91243116 1.0
C C41 1 0.78371682 0.35135886 0.64702925 1.0
C C42 1 0.00000000 0.17059202 0.75634053 1.0
C C43 1 0.22378639 0.72834239 0.44875760 1.0
C C44 1 0.16533197 0.22456566 0.21265649 1.0
C C45 1 0.07013480 0.58064196 0.58756884 1.0
C C46 1 0.12468463 0.92842816 0.25092557 1.0
C C47 1 0.92986520 0.58064196 0.58756884 1.0
C C48 1 0.57205076 0.80244933 0.35918979 1.0
C C49 1 0.27621361 0.22834239 0.05124240 1.0
C C50 1 0.82535316 0.68983198 0.54264759 1.0
C C51 1 0.65522976 0.00186147 0.16355012 1.0
C C52 1 0.76376768 0.36473782 0.28598846 1.0
C C53 1 0.62468463 0.57157184 0.75092557 1.0
C C54 1 0.83466803 0.22456566 0.21265649 1.0
C C55 1 0.37954145 0.18050839 0.38247460 1.0
C C56 1 0.15522976 0.50186147 0.33644988 1.0
C C57 1 0.23623232 0.36473782 0.28598846 1.0
C C58 1 0.72378639 0.22834239 0.05124240 1.0
C C59 1 0.23970146 0.23090075 0.87700751 1.0
C C60 1 0.07879296 0.91300023 0.74598034 1.0
C C61 1 0.26376768 0.86473782 0.21401154 1.0
C C62 1 0.42619436 0.85757926 0.52620510 1.0
C C63 1 0.57013480 0.91935804 0.08756884 1.0
C C64 1 0.16533197 0.77543434 0.78734351 1.0
C C65 1 0.87531537 0.07157184 0.74907443 1.0
C C66 1 0.37531537 0.57157184 0.75092557 1.0
C C67 1 0.73970146 0.73090075 0.62299249 1.0
C C68 1 0.14778451 0.31644201 0.05434849 1.0
C C69 1 0.92120704 0.08699977 0.25401966 1.0
C C70 1 0.92986520 0.41935804 0.41243116 1.0
C C71 1 0.84477024 0.49813853 0.66355012 1.0
C C72 1 0.00000000 0.70886105 0.17757445 1.0
C C73 1 0.92619536 0.64242074 0.02620510 1.0
C C74 1 0.42986520 0.08064196 0.91243116 1.0
C C75 1 0.42120704 0.58699977 0.24598034 1.0
C C76 1 0.62045855 0.81949161 0.61752540 1.0
C C77 1 0.34477024 0.00186147 0.16355012 1.0
C C78 1 0.62045855 0.18050839 0.38247460 1.0
C C79 1 0.50000000 0.32940798 0.25634053 1.0
C C80 1 0.92794924 0.69755067 0.85918979 1.0
C C81 1 0.50000000 0.79113895 0.67757445 1.0
C C82 1 0.73623232 0.86473782 0.21401154 1.0
C C83 1 0.77621361 0.72834239 0.44875760 1.0
C C84 1 0.76029854 0.23090075 0.87700751 1.0
C C85 1 0.66533197 0.72456566 0.28734351 1.0
C C86 1 0.15522976 0.49813853 0.66355012 1.0
C C87 1 0.87954145 0.31949161 0.88247460 1.0
C C88 1 0.57879296 0.41300023 0.75401966 1.0
C C89 1 0.77621361 0.27165761 0.55124240 1.0
C C90 1 0.50000000 0.67059202 0.74365947 1.0
C C91 1 0.42120704 0.41300023 0.75401966 1.0
C C92 1 0.07205076 0.69755067 0.85918979 1.0
C C93 1 0.65522976 0.99813853 0.83644988 1.0
C C94 1 0.17464684 0.68983198 0.54264759 1.0
C C95 1 0.78371682 0.64864114 0.35297075 1.0
C C96 1 0.12468463 0.07157184 0.74907443 1.0
C C97 1 0.92619536 0.35757926 0.97379490 1.0
C C98 1 0.34477024 0.99813853 0.83644988 1.0
C C99 1 0.73623232 0.13526218 0.78598846 1.0
C C100 1 0.21628318 0.64864114 0.35297075 1.0
C C101 1 0.57205076 0.19755067 0.64081021 1.0
C C102 1 0.73970146 0.26909925 0.37700751 1.0
C C103 1 0.07879296 0.08699977 0.25401966 1.0
C C104 1 0.92120704 0.91300023 0.74598034 1.0
C C105 1 0.07380564 0.64242074 0.02620510 1.0
C C106 1 0.84477024 0.50186147 0.33644988 1.0
C C107 1 0.37531537 0.42842816 0.24907443 1.0
C C108 1 0.62468463 0.42842816 0.24907443 1.0
C C109 1 0.85221549 0.68355799 0.94565151 1.0
C C110 1 0.67464684 0.81016802 0.04264759 1.0
C C111 1 0.42794924 0.80244933 0.35918979 1.0
C C112 1 0.26376768 0.13526218 0.78598846 1.0
C C113 1 0.66533197 0.27543434 0.71265649 1.0
C C114 1 0.57879296 0.58699977 0.24598034 1.0
C C115 1 0.76029854 0.76909925 0.12299249 1.0
C C116 1 0.07205076 0.30244933 0.14081021 1.0
C C117 1 0.76376768 0.63526218 0.71401154 1.0
C C118 1 0.27621361 0.77165761 0.94875760 1.0
C C119 1 0.42619436 0.14242074 0.47379490 1.0