Cr7C3
传统材料 TRAMP-ID: mp-1196316 · 空间群: P6_3mc (#186)
基础信息
化学式
Cr7C3
MP-ID
mp-1196316
元素数
2
位点数
80
密度
7.0555
g/cm³
体积
753.14
ų
晶胞参数 a
13.9380
Å
晶胞参数 b
13.9380
Å
晶胞参数 c
4.4766
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3mc
点群
6mm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.09859
eV/atom
能量/原子
-9.62501
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-9.6250
eV/atom
体积/原子
9.41
ų
c/a 比
0.3212
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
0.5154
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000680
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
Cr · 0.700
元素家族
N/A
溶质分数
0.300
间隙分数
0.300
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.933
家族
Binary Alloy
基质元素
Cr · 0.700
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-1196316
参考引用
The crystal structure and related material properties of Cr7C3 were obtained from the Materials Project database (MP-ID: mp-1196316, 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_Cr7C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.93797934
_cell_length_b 13.93797934
_cell_length_c 4.47658100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999689
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr7C3
_chemical_formula_sum 'Cr56 C24'
_cell_volume 753.14175416
_cell_formula_units_Z 8
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
Cr Cr0 1 0.33333300 0.66666700 0.78198300 1.0
Cr Cr1 1 0.66666700 0.33333300 0.28198300 1.0
Cr Cr2 1 0.06129200 0.93870800 0.05607900 1.0
Cr Cr3 1 0.87741700 0.93870800 0.05607900 1.0
Cr Cr4 1 0.06129200 0.12258300 0.05607900 1.0
Cr Cr5 1 0.93870800 0.06129200 0.55607900 1.0
Cr Cr6 1 0.12258300 0.06129200 0.55607900 1.0
Cr Cr7 1 0.93870800 0.87741700 0.55607900 1.0
Cr Cr8 1 0.16679700 0.33359400 0.25822100 1.0
Cr Cr9 1 0.16679700 0.83320300 0.25822100 1.0
Cr Cr10 1 0.66640600 0.83320300 0.25822100 1.0
Cr Cr11 1 0.83320300 0.66640600 0.75822100 1.0
Cr Cr12 1 0.83320300 0.16679700 0.75822100 1.0
Cr Cr13 1 0.33359400 0.16679700 0.75822100 1.0
Cr Cr14 1 0.22756800 0.45513600 0.74902200 1.0
Cr Cr15 1 0.22756800 0.77243200 0.74902200 1.0
Cr Cr16 1 0.54486400 0.77243200 0.74902200 1.0
Cr Cr17 1 0.77243200 0.54486400 0.24902200 1.0
Cr Cr18 1 0.77243200 0.22756800 0.24902200 1.0
Cr Cr19 1 0.45513600 0.22756800 0.24902200 1.0
Cr Cr20 1 0.27294300 0.54588600 0.25275000 1.0
Cr Cr21 1 0.27294300 0.72705700 0.25275000 1.0
Cr Cr22 1 0.45411400 0.72705700 0.25275000 1.0
Cr Cr23 1 0.72705700 0.45411400 0.75275000 1.0
Cr Cr24 1 0.72705700 0.27294300 0.75275000 1.0
Cr Cr25 1 0.54588600 0.27294300 0.75275000 1.0
Cr Cr26 1 0.56174500 0.12349000 0.44797300 1.0
Cr Cr27 1 0.56174500 0.43825500 0.44797300 1.0
Cr Cr28 1 0.87651000 0.43825500 0.44797300 1.0
Cr Cr29 1 0.43825500 0.87651000 0.94797300 1.0
Cr Cr30 1 0.43825500 0.56174500 0.94797300 1.0
Cr Cr31 1 0.12349000 0.56174500 0.94797300 1.0
Cr Cr32 1 0.27159000 0.04451900 0.25683000 1.0
Cr Cr33 1 0.77292900 0.72841000 0.25683000 1.0
Cr Cr34 1 0.95548100 0.22707100 0.25683000 1.0
Cr Cr35 1 0.77292900 0.04451900 0.25683000 1.0
Cr Cr36 1 0.95548100 0.72841000 0.25683000 1.0
Cr Cr37 1 0.27159000 0.22707100 0.25683000 1.0
Cr Cr38 1 0.72841000 0.95548100 0.75683000 1.0
Cr Cr39 1 0.22707100 0.27159000 0.75683000 1.0
Cr Cr40 1 0.04451900 0.77292900 0.75683000 1.0
Cr Cr41 1 0.22707100 0.95548100 0.75683000 1.0
Cr Cr42 1 0.04451900 0.27159000 0.75683000 1.0
Cr Cr43 1 0.72841000 0.77292900 0.75683000 1.0
Cr Cr44 1 0.43741900 0.06215400 0.94744900 1.0
Cr Cr45 1 0.62473600 0.56258100 0.94744900 1.0
Cr Cr46 1 0.93784600 0.37526400 0.94744900 1.0
Cr Cr47 1 0.62473600 0.06215400 0.94744900 1.0
Cr Cr48 1 0.93784600 0.56258100 0.94744900 1.0
Cr Cr49 1 0.43741900 0.37526400 0.94744900 1.0
Cr Cr50 1 0.56258100 0.93784600 0.44744900 1.0
Cr Cr51 1 0.37526400 0.43741900 0.44744900 1.0
Cr Cr52 1 0.06215400 0.62473600 0.44744900 1.0
Cr Cr53 1 0.37526400 0.93784600 0.44744900 1.0
Cr Cr54 1 0.06215400 0.43741900 0.44744900 1.0
Cr Cr55 1 0.56258100 0.62473600 0.44744900 1.0
C C56 1 0.09419900 0.18839700 0.46556700 1.0
C C57 1 0.09419900 0.90580100 0.46556700 1.0
C C58 1 0.81160300 0.90580100 0.46556700 1.0
C C59 1 0.90580100 0.81160300 0.96556700 1.0
C C60 1 0.90580100 0.09419900 0.96556700 1.0
C C61 1 0.18839700 0.09419900 0.96556700 1.0
C C62 1 0.40542300 0.81084700 0.53665600 1.0
C C63 1 0.40542300 0.59457700 0.53665600 1.0
C C64 1 0.18915300 0.59457700 0.53665600 1.0
C C65 1 0.59457700 0.18915300 0.03665600 1.0
C C66 1 0.59457700 0.40542300 0.03665600 1.0
C C67 1 0.81084700 0.40542300 0.03665600 1.0
C C68 1 0.40668200 0.09417000 0.53212500 1.0
C C69 1 0.68748900 0.59331800 0.53212500 1.0
C C70 1 0.90583000 0.31251100 0.53212500 1.0
C C71 1 0.68748900 0.09417000 0.53212500 1.0
C C72 1 0.90583000 0.59331800 0.53212500 1.0
C C73 1 0.40668200 0.31251100 0.53212500 1.0
C C74 1 0.59331800 0.90583000 0.03212500 1.0
C C75 1 0.31251100 0.40668200 0.03212500 1.0
C C76 1 0.09417000 0.68748900 0.03212500 1.0
C C77 1 0.31251100 0.90583000 0.03212500 1.0
C C78 1 0.09417000 0.40668200 0.03212500 1.0
C C79 1 0.59331800 0.68748900 0.03212500 1.0