Sr7ReN6
传统材料 TRAMP-ID: mp-1245695 · 空间群: Pbcn (#60)
基础信息
化学式
Sr7ReN6
MP-ID
mp-1245695
元素数
3
位点数
56
密度
5.0648
g/cm³
体积
1,158.76
ų
晶胞参数 a
12.1993
Å
晶胞参数 b
6.8093
Å
晶胞参数 c
13.9495
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
-0.71126
eV/atom
能量/原子
-6.02017
eV/atom
凸包距离
0.0457
eV/atom
未修正能量
-5.8655
eV/atom
体积/原子
20.69
ų
c/a 比
1.1435
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
0.2027
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000170
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
0.525
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-1245695
参考引用
The crystal structure and related material properties of Sr7ReN6 were obtained from the Materials Project database (MP-ID: mp-1245695, 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_Sr7ReN6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.19924988
_cell_length_b 6.80926691
_cell_length_c 13.94951098
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7ReN6
_chemical_formula_sum 'Sr28 Re4 N24'
_cell_volume 1158.75726017
_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 0.03215020 0.73032131 0.98309411 1.0
Sr Sr1 1 0.46784980 0.76967869 0.48309411 1.0
Sr Sr2 1 0.53215020 0.76967869 0.01690589 1.0
Sr Sr3 1 0.96784980 0.73032131 0.51690589 1.0
Sr Sr4 1 0.96784980 0.26967869 0.01690589 1.0
Sr Sr5 1 0.53215020 0.23032131 0.51690589 1.0
Sr Sr6 1 0.46784980 0.23032131 0.98309411 1.0
Sr Sr7 1 0.03215020 0.26967869 0.48309411 1.0
Sr Sr8 1 0.22549652 0.85448482 0.62339812 1.0
Sr Sr9 1 0.27450348 0.64551518 0.12339812 1.0
Sr Sr10 1 0.72549652 0.64551518 0.37660188 1.0
Sr Sr11 1 0.77450348 0.85448482 0.87660188 1.0
Sr Sr12 1 0.77450348 0.14551518 0.37660188 1.0
Sr Sr13 1 0.72549652 0.35448482 0.87660188 1.0
Sr Sr14 1 0.27450348 0.35448482 0.62339812 1.0
Sr Sr15 1 0.22549652 0.14551518 0.12339812 1.0
Sr Sr16 1 0.28184862 0.62354935 0.87614330 1.0
Sr Sr17 1 0.21815138 0.87645065 0.37614330 1.0
Sr Sr18 1 0.78184862 0.87645065 0.12385670 1.0
Sr Sr19 1 0.71815138 0.62354935 0.62385670 1.0
Sr Sr20 1 0.71815138 0.37645065 0.12385670 1.0
Sr Sr21 1 0.78184862 0.12354935 0.62385670 1.0
Sr Sr22 1 0.21815138 0.12354935 0.87614330 1.0
Sr Sr23 1 0.28184862 0.37645065 0.37614330 1.0
Sr Sr24 1 0.00000000 0.44250182 0.75000000 1.0
Sr Sr25 1 0.50000000 0.05749818 0.25000000 1.0
Sr Sr26 1 0.00000000 0.55749818 0.25000000 1.0
Sr Sr27 1 0.50000000 0.94250182 0.75000000 1.0
Re Re28 1 0.00000000 0.94512692 0.75000000 1.0
Re Re29 1 0.50000000 0.55487308 0.25000000 1.0
Re Re30 1 0.00000000 0.05487308 0.25000000 1.0
Re Re31 1 0.50000000 0.44512692 0.75000000 1.0
N N32 1 0.11485486 0.78775803 0.79554469 1.0
N N33 1 0.38514514 0.71224197 0.29554469 1.0
N N34 1 0.61485486 0.71224197 0.20445531 1.0
N N35 1 0.88514514 0.78775803 0.70445531 1.0
N N36 1 0.88514514 0.21224197 0.20445531 1.0
N N37 1 0.61485486 0.28775803 0.70445531 1.0
N N38 1 0.38514514 0.28775803 0.79554469 1.0
N N39 1 0.11485486 0.21224197 0.29554469 1.0
N N40 1 0.16462371 0.58226775 0.50055881 1.0
N N41 1 0.33537629 0.91773225 0.00055881 1.0
N N42 1 0.66462371 0.91773225 0.49944119 1.0
N N43 1 0.83537629 0.58226775 0.99944119 1.0
N N44 1 0.83537629 0.41773225 0.49944119 1.0
N N45 1 0.66462371 0.08226775 0.99944119 1.0
N N46 1 0.33537629 0.08226775 0.50055881 1.0
N N47 1 0.16462371 0.41773225 0.00055881 1.0
N N48 1 0.44704393 0.60286367 0.64865690 1.0
N N49 1 0.05295607 0.89713633 0.14865690 1.0
N N50 1 0.94704393 0.89713633 0.35134310 1.0
N N51 1 0.55295607 0.60286367 0.85134310 1.0
N N52 1 0.55295607 0.39713633 0.35134310 1.0
N N53 1 0.94704393 0.10286367 0.85134310 1.0
N N54 1 0.05295607 0.10286367 0.64865690 1.0
N N55 1 0.44704393 0.39713633 0.14865690 1.0