Sr7CrN6
传统材料 TRAMP-ID: mp-1247406 · 空间群: Pbcn (#60)
基础信息
化学式
Sr7CrN6
MP-ID
mp-1247406
元素数
3
位点数
56
密度
4.5453
g/cm³
体积
1,095.07
ų
晶胞参数 a
11.8620
Å
晶胞参数 b
6.7514
Å
晶胞参数 c
13.6738
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pbcn
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
-0.79663
eV/atom
能量/原子
-13.35845
eV/atom
凸包距离
0.1111
eV/atom
未修正能量
-5.7514
eV/atom
体积/原子
19.55
ų
c/a 比
1.1527
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
1.1197
μB
磁有序
FM
磁性位点数
4
磁化强度/体积
0.001020
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
Sr · 0.500
元素家族
N/A
溶质分数
0.500
间隙分数
0.429
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.482
家族
Interstitial Alloy
基质元素
Sr · 0.500
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-1247406
参考引用
The crystal structure and related material properties of Sr7CrN6 were obtained from the Materials Project database (MP-ID: mp-1247406, 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_Sr7CrN6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.86202742
_cell_length_b 6.75139491
_cell_length_c 13.67381832
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7CrN6
_chemical_formula_sum 'Sr28 Cr4 N24'
_cell_volume 1095.07090627
_cell_formula_units_Z 4
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
Sr Sr0 1 0.03605642 0.73519509 0.97880761 1.0
Sr Sr1 1 0.46394358 0.76480491 0.47880761 1.0
Sr Sr2 1 0.53605642 0.76480491 0.02119239 1.0
Sr Sr3 1 0.96394358 0.73519509 0.52119239 1.0
Sr Sr4 1 0.96394358 0.26480491 0.02119239 1.0
Sr Sr5 1 0.53605642 0.23519509 0.52119239 1.0
Sr Sr6 1 0.46394358 0.23519509 0.97880761 1.0
Sr Sr7 1 0.03605642 0.26480491 0.47880761 1.0
Sr Sr8 1 0.22163480 0.85527460 0.62213247 1.0
Sr Sr9 1 0.27836520 0.64472540 0.12213247 1.0
Sr Sr10 1 0.72163480 0.64472540 0.37786753 1.0
Sr Sr11 1 0.77836520 0.85527460 0.87786753 1.0
Sr Sr12 1 0.77836520 0.14472540 0.37786753 1.0
Sr Sr13 1 0.72163480 0.35527460 0.87786753 1.0
Sr Sr14 1 0.27836520 0.35527460 0.62213247 1.0
Sr Sr15 1 0.22163480 0.14472540 0.12213247 1.0
Sr Sr16 1 0.28978291 0.61473802 0.86929239 1.0
Sr Sr17 1 0.21021709 0.88526198 0.36929239 1.0
Sr Sr18 1 0.78978291 0.88526198 0.13070761 1.0
Sr Sr19 1 0.71021709 0.61473802 0.63070761 1.0
Sr Sr20 1 0.71021709 0.38526198 0.13070761 1.0
Sr Sr21 1 0.78978291 0.11473802 0.63070761 1.0
Sr Sr22 1 0.21021709 0.11473802 0.86929239 1.0
Sr Sr23 1 0.28978291 0.38526198 0.36929239 1.0
Sr Sr24 1 -0.00000000 0.43582959 0.75000000 1.0
Sr Sr25 1 0.50000000 0.06417041 0.25000000 1.0
Sr Sr26 1 -0.00000000 0.56417041 0.25000000 1.0
Sr Sr27 1 0.50000000 0.93582959 0.75000000 1.0
Cr Cr28 1 -0.00000000 0.93076152 0.75000000 1.0
Cr Cr29 1 0.50000000 0.56923848 0.25000000 1.0
Cr Cr30 1 -0.00000000 0.06923848 0.25000000 1.0
Cr Cr31 1 0.50000000 0.43076152 0.75000000 1.0
N N32 1 0.11554041 0.77744589 0.78874765 1.0
N N33 1 0.38445959 0.72255411 0.28874765 1.0
N N34 1 0.61554041 0.72255411 0.21125235 1.0
N N35 1 0.88445959 0.77744589 0.71125235 1.0
N N36 1 0.88445959 0.22255411 0.21125235 1.0
N N37 1 0.61554041 0.27744589 0.71125235 1.0
N N38 1 0.38445959 0.27744589 0.78874765 1.0
N N39 1 0.11554041 0.22255411 0.28874765 1.0
N N40 1 0.16519806 0.58661573 0.49667679 1.0
N N41 1 0.33480194 0.91338427 0.99667679 1.0
N N42 1 0.66519806 0.91338427 0.50332321 1.0
N N43 1 0.83480194 0.58661573 0.00332321 1.0
N N44 1 0.83480194 0.41338427 0.50332321 1.0
N N45 1 0.66519806 0.08661573 0.00332321 1.0
N N46 1 0.33480194 0.08661573 0.49667679 1.0
N N47 1 0.16519806 0.41338427 0.99667679 1.0
N N48 1 0.45673883 0.58195947 0.64756176 1.0
N N49 1 0.04326117 0.91804053 0.14756176 1.0
N N50 1 0.95673883 0.91804053 0.35243824 1.0
N N51 1 0.54326117 0.58195947 0.85243824 1.0
N N52 1 0.54326117 0.41804053 0.35243824 1.0
N N53 1 0.95673883 0.08195947 0.85243824 1.0
N N54 1 0.04326117 0.08195947 0.64756176 1.0
N N55 1 0.45673883 0.41804053 0.14756176 1.0