Sm5Br11
传统材料 TRAMP-ID: mp-680266 · 空间群: P2_1/m (#11)
基础信息
化学式
Sm5Br11
MP-ID
mp-680266
元素数
2
位点数
64
密度
5.6632
g/cm³
体积
1,912.63
ų
晶胞参数 a
7.0395
Å
晶胞参数 b
7.5213
Å
晶胞参数 c
36.1240
Å
α 角
90.00
°
β 角
90.00
°
γ 角
89.91
°
空间群
P2_1/m
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-1.93048
eV/atom
能量/原子
-4.53044
eV/atom
凸包距离
0.1742
eV/atom
未修正能量
-4.1633
eV/atom
体积/原子
29.88
ų
c/a 比
5.1316
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
16.0161
μB
磁有序
FM
磁性位点数
20
磁化强度/体积
0.008370
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
Br · 0.688
元素家族
N/A
溶质分数
0.313
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.519
家族
Binary Alloy
基质元素
Br · 0.688
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-680266
参考引用
The crystal structure and related material properties of Sm5Br11 were obtained from the Materials Project database (MP-ID: mp-680266, 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_Sm5Br11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03953252
_cell_length_b 7.52125711
_cell_length_c 36.12403789
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.91339968
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm5Br11
_chemical_formula_sum 'Sm20 Br44'
_cell_volume 1912.62596441
_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
Sm Sm0 1 0.46764151 0.84834396 0.44427999 1.0
Sm Sm1 1 0.02128175 0.72090659 0.15363909 1.0
Sm Sm2 1 0.97871825 0.27909341 0.65363909 1.0
Sm Sm3 1 0.53235849 0.15165604 0.55572001 1.0
Sm Sm4 1 0.01612372 0.33129970 0.25000000 1.0
Sm Sm5 1 0.98387628 0.66870030 0.75000000 1.0
Sm Sm6 1 0.53377691 0.77270176 0.65423847 1.0
Sm Sm7 1 0.46764151 0.84834396 0.05572001 1.0
Sm Sm8 1 0.53377691 0.77270176 0.84576153 1.0
Sm Sm9 1 0.52031486 0.15981514 0.75000000 1.0
Sm Sm10 1 0.02907335 0.34632891 0.05648427 1.0
Sm Sm11 1 0.47968514 0.84018486 0.25000000 1.0
Sm Sm12 1 0.46622309 0.22729824 0.15423847 1.0
Sm Sm13 1 0.53235849 0.15165604 0.94427999 1.0
Sm Sm14 1 0.02907335 0.34632891 0.44351573 1.0
Sm Sm15 1 0.46622309 0.22729824 0.34576153 1.0
Sm Sm16 1 0.97092665 0.65367109 0.94351573 1.0
Sm Sm17 1 0.97092665 0.65367109 0.55648427 1.0
Sm Sm18 1 0.02128175 0.72090659 0.34636091 1.0
Sm Sm19 1 0.97871825 0.27909341 0.84636091 1.0
Br Br20 1 0.32739433 0.83448004 0.58359468 1.0
Br Br21 1 0.18302988 0.33788574 0.58329194 1.0
Br Br22 1 0.81638651 0.97322745 0.79824415 1.0
Br Br23 1 0.68304881 0.46348947 0.60411143 1.0
Br Br24 1 0.18361349 0.02677255 0.20175585 1.0
Br Br25 1 0.81697012 0.66211426 0.08329194 1.0
Br Br26 1 0.68304881 0.46348947 0.89588857 1.0
Br Br27 1 0.26284251 0.10939021 0.49207962 1.0
Br Br28 1 0.85353195 0.37142742 0.17087099 1.0
Br Br29 1 0.14646805 0.62857258 0.82912901 1.0
Br Br30 1 0.81697012 0.66211426 0.41670806 1.0
Br Br31 1 0.18361349 0.02677255 0.29824415 1.0
Br Br32 1 0.82440535 0.96656336 0.60416852 1.0
Br Br33 1 0.86915392 0.69125207 0.25000000 1.0
Br Br34 1 0.13084608 0.30874793 0.75000000 1.0
Br Br35 1 0.23449838 0.60793239 0.49192352 1.0
Br Br36 1 0.35583834 0.11891214 0.82854271 1.0
Br Br37 1 0.73715749 0.89060979 0.99207962 1.0
Br Br38 1 0.69262521 0.46782235 0.70194648 1.0
Br Br39 1 0.76550162 0.39206761 0.99192352 1.0
Br Br40 1 0.85353195 0.37142742 0.32912901 1.0
Br Br41 1 0.67260567 0.16551996 0.41640532 1.0
Br Br42 1 0.35583834 0.11891214 0.67145729 1.0
Br Br43 1 0.30737479 0.53217765 0.20194648 1.0
Br Br44 1 0.76550162 0.39206761 0.50807648 1.0
Br Br45 1 0.69262521 0.46782235 0.79805352 1.0
Br Br46 1 0.73715749 0.89060979 0.50792038 1.0
Br Br47 1 0.38612578 0.79474592 0.75000000 1.0
Br Br48 1 0.61387422 0.20525408 0.25000000 1.0
Br Br49 1 0.26284251 0.10939021 0.00792038 1.0
Br Br50 1 0.67260567 0.16551996 0.08359468 1.0
Br Br51 1 0.23449838 0.60793239 0.00807648 1.0
Br Br52 1 0.64416166 0.88108786 0.32854271 1.0
Br Br53 1 0.64416166 0.88108786 0.17145729 1.0
Br Br54 1 0.17559465 0.03343664 0.39583148 1.0
Br Br55 1 0.14646805 0.62857258 0.67087099 1.0
Br Br56 1 0.30737479 0.53217765 0.29805352 1.0
Br Br57 1 0.81638651 0.97322745 0.70175585 1.0
Br Br58 1 0.17559465 0.03343664 0.10416852 1.0
Br Br59 1 0.31695119 0.53651053 0.39588857 1.0
Br Br60 1 0.18302988 0.33788574 0.91670806 1.0
Br Br61 1 0.82440535 0.96656336 0.89583148 1.0
Br Br62 1 0.31695119 0.53651053 0.10411143 1.0
Br Br63 1 0.32739433 0.83448004 0.91640532 1.0