Sm11Br24
传统材料 TRAMP-ID: mp-684193 · 空间群: Pbcn (#60)
基础信息
化学式
Sm11Br24
MP-ID
mp-684193
元素数
2
位点数
140
密度
5.5635
g/cm³
体积
4,264.12
ų
晶胞参数 a
7.2101
Å
晶胞参数 b
7.4796
Å
晶胞参数 c
79.0700
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
-1.92797
eV/atom
能量/原子
-4.53343
eV/atom
凸包距离
0.1712
eV/atom
未修正能量
-4.1673
eV/atom
体积/原子
30.46
ų
c/a 比
10.9666
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
35.9176
μB
磁有序
FM
磁性位点数
44
磁化强度/体积
0.008420
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 · 0.686
元素家族
N/A
溶质分数
0.314
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.520
家族
Binary Alloy
基质元素
Br · 0.686
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-684193
参考引用
The crystal structure and related material properties of Sm11Br24 were obtained from the Materials Project database (MP-ID: mp-684193, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Sm11Br24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21009897
_cell_length_b 7.47956595
_cell_length_c 79.06997374
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00465670
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm11Br24
_chemical_formula_sum 'Sm44 Br96'
_cell_volume 4264.11800884
_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 0.45777206 0.12632611 0.97312742 1.0
Sm Sm1 1 0.95777206 0.62632611 0.52687258 1.0
Sm Sm2 1 0.54222794 0.87367389 0.02687258 1.0
Sm Sm3 1 0.04222794 0.37367389 0.47312742 1.0
Sm Sm4 1 0.46301742 0.80644894 0.93349742 1.0
Sm Sm5 1 0.96301742 0.30644894 0.56650258 1.0
Sm Sm6 1 0.53698258 0.19355106 0.06650258 1.0
Sm Sm7 1 0.03698258 0.69355106 0.43349742 1.0
Sm Sm8 1 0.49202580 0.17654485 0.88642756 1.0
Sm Sm9 1 0.99202580 0.67654485 0.61357244 1.0
Sm Sm10 1 0.50797420 0.82345515 0.11357244 1.0
Sm Sm11 1 0.00797420 0.32345515 0.38642756 1.0
Sm Sm12 1 0.04242856 0.62662284 0.97314649 1.0
Sm Sm13 1 0.54242856 0.12662284 0.52685351 1.0
Sm Sm14 1 0.95757144 0.37337716 0.02685351 1.0
Sm Sm15 1 0.45757144 0.87337716 0.47314649 1.0
Sm Sm16 1 0.03653472 0.30624111 0.93343555 1.0
Sm Sm17 1 0.53653472 0.80624111 0.56656445 1.0
Sm Sm18 1 0.96346528 0.69375889 0.06656445 1.0
Sm Sm19 1 0.46346528 0.19375889 0.43343555 1.0
Sm Sm20 1 0.00787653 0.67634072 0.88641392 1.0
Sm Sm21 1 0.50787653 0.17634072 0.61358608 1.0
Sm Sm22 1 0.99212347 0.32365928 0.11358608 1.0
Sm Sm23 1 0.49212347 0.82365928 0.38641392 1.0
Sm Sm24 1 0.46629684 0.11215696 0.79787184 1.0
Sm Sm25 1 0.96629684 0.61215696 0.70212816 1.0
Sm Sm26 1 0.53370316 0.88784304 0.20212816 1.0
Sm Sm27 1 0.03370316 0.38784304 0.29787184 1.0
Sm Sm28 1 0.47431990 0.78002620 0.84301326 1.0
Sm Sm29 1 0.97431990 0.28002620 0.65698674 1.0
Sm Sm30 1 0.52568010 0.21997380 0.15698674 1.0
Sm Sm31 1 0.02568010 0.71997380 0.34301326 1.0
Sm Sm32 1 0.03268378 0.61097320 0.79765239 1.0
Sm Sm33 1 0.53268378 0.11097320 0.70234761 1.0
Sm Sm34 1 0.96731622 0.38902680 0.20234761 1.0
Sm Sm35 1 0.46731622 0.88902680 0.29765239 1.0
Sm Sm36 1 0.02607859 0.27923081 0.84296204 1.0
Sm Sm37 1 0.52607859 0.77923081 0.65703796 1.0
Sm Sm38 1 0.97392141 0.72076919 0.15703796 1.0
Sm Sm39 1 0.47392141 0.22076919 0.34296204 1.0
Sm Sm40 1 0.99972625 0.37217859 0.75011742 1.0
Sm Sm41 1 0.49972625 0.87217859 0.74988258 1.0
Sm Sm42 1 0.00027375 0.62782141 0.24988258 1.0
Sm Sm43 1 0.50027375 0.12782141 0.25011742 1.0
Br Br44 1 0.27752082 0.87286667 0.99614375 1.0
Br Br45 1 0.77752082 0.37286667 0.50385625 1.0
Br Br46 1 0.72247918 0.12713333 0.00385625 1.0
Br Br47 1 0.22247918 0.62713333 0.49614375 1.0
Br Br48 1 0.69240554 0.82488746 0.96340100 1.0
Br Br49 1 0.19240554 0.32488746 0.53659900 1.0
Br Br50 1 0.30759446 0.17511254 0.03659900 1.0
Br Br51 1 0.80759446 0.67511254 0.46340100 1.0
Br Br52 1 0.14686801 0.96488960 0.95299409 1.0
Br Br53 1 0.64686801 0.46488960 0.54700591 1.0
Br Br54 1 0.85313199 0.03511040 0.04700591 1.0
Br Br55 1 0.35313199 0.53511040 0.45299409 1.0
Br Br56 1 0.66702070 0.12665088 0.92131810 1.0
Br Br57 1 0.16702070 0.62665088 0.57868190 1.0
Br Br58 1 0.33297930 0.87334912 0.07868190 1.0
Br Br59 1 0.83297930 0.37334912 0.42131810 1.0
Br Br60 1 0.19484063 0.98302000 0.90855079 1.0
Br Br61 1 0.69484063 0.48302000 0.59144921 1.0
Br Br62 1 0.80515937 0.01698000 0.09144921 1.0
Br Br63 1 0.30515937 0.51698000 0.40855079 1.0
Br Br64 1 0.61668530 0.80706549 0.88461212 1.0
Br Br65 1 0.11668530 0.30706549 0.61538788 1.0
Br Br66 1 0.38331470 0.19293451 0.11538788 1.0
Br Br67 1 0.88331470 0.69293451 0.38461212 1.0
Br Br68 1 0.22260409 0.37264234 0.99613392 1.0
Br Br69 1 0.72260409 0.87264234 0.50386608 1.0
Br Br70 1 0.77739591 0.62735766 0.00386608 1.0
Br Br71 1 0.27739591 0.12735766 0.49613392 1.0
Br Br72 1 0.80784368 0.32537718 0.96338775 1.0
Br Br73 1 0.30784368 0.82537718 0.53661225 1.0
Br Br74 1 0.19215632 0.67462282 0.03661225 1.0
Br Br75 1 0.69215632 0.17462282 0.46338775 1.0
Br Br76 1 0.35252648 0.46433631 0.95298510 1.0
Br Br77 1 0.85252648 0.96433631 0.54701490 1.0
Br Br78 1 0.64747352 0.53566369 0.04701490 1.0
Br Br79 1 0.14747352 0.03566369 0.45298510 1.0
Br Br80 1 0.83241017 0.62674744 0.92130830 1.0
Br Br81 1 0.33241017 0.12674744 0.57869170 1.0
Br Br82 1 0.16758983 0.37325256 0.07869170 1.0
Br Br83 1 0.66758983 0.87325256 0.42130830 1.0
Br Br84 1 0.30493320 0.48315370 0.90854356 1.0
Br Br85 1 0.80493320 0.98315370 0.59145644 1.0
Br Br86 1 0.69506680 0.51684630 0.09145644 1.0
Br Br87 1 0.19506680 0.01684630 0.40854356 1.0
Br Br88 1 0.88306019 0.30704320 0.88466417 1.0
Br Br89 1 0.38306019 0.80704320 0.61533583 1.0
Br Br90 1 0.11693981 0.69295680 0.11533583 1.0
Br Br91 1 0.61693981 0.19295680 0.38466417 1.0
Br Br92 1 0.21618877 0.89276800 0.77684236 1.0
Br Br93 1 0.71618877 0.39276800 0.72315764 1.0
Br Br94 1 0.78381123 0.10723200 0.22315764 1.0
Br Br95 1 0.28381123 0.60723200 0.27684236 1.0
Br Br96 1 0.67711711 0.80533796 0.81023885 1.0
Br Br97 1 0.17711711 0.30533796 0.68976115 1.0
Br Br98 1 0.32288289 0.19466204 0.18976115 1.0
Br Br99 1 0.82288289 0.69466204 0.31023885 1.0
Br Br100 1 0.17048978 0.94558893 0.82081869 1.0
Br Br101 1 0.67048978 0.44558893 0.67918131 1.0
Br Br102 1 0.82951022 0.05441107 0.17918131 1.0
Br Br103 1 0.32951022 0.55441107 0.32081869 1.0
Br Br104 1 0.64465227 0.13093881 0.85011427 1.0
Br Br105 1 0.14465227 0.63093881 0.64988573 1.0
Br Br106 1 0.35534773 0.86906119 0.14988573 1.0
Br Br107 1 0.85534773 0.36906119 0.35011427 1.0
Br Br108 1 0.19283649 0.97879432 0.86490781 1.0
Br Br109 1 0.69283649 0.47879432 0.63509219 1.0
Br Br110 1 0.80716351 0.02120568 0.13509219 1.0
Br Br111 1 0.30716351 0.52120568 0.36490781 1.0
Br Br112 1 0.72802818 0.13373255 0.76768208 1.0
Br Br113 1 0.22802818 0.63373255 0.73231792 1.0
Br Br114 1 0.27197182 0.86626745 0.23231792 1.0
Br Br115 1 0.77197182 0.36626745 0.26768208 1.0
Br Br116 1 0.28472018 0.39240498 0.77683132 1.0
Br Br117 1 0.78472018 0.89240498 0.72316868 1.0
Br Br118 1 0.71527982 0.60759502 0.22316868 1.0
Br Br119 1 0.21527982 0.10759502 0.27683132 1.0
Br Br120 1 0.82280617 0.30504115 0.81023117 1.0
Br Br121 1 0.32280617 0.80504115 0.68976883 1.0
Br Br122 1 0.17719383 0.69495885 0.18976883 1.0
Br Br123 1 0.67719383 0.19495885 0.31023117 1.0
Br Br124 1 0.32917157 0.44627324 0.82081025 1.0
Br Br125 1 0.82917157 0.94627324 0.67918975 1.0
Br Br126 1 0.67082843 0.55372676 0.17918975 1.0
Br Br127 1 0.17082843 0.05372676 0.32081025 1.0
Br Br128 1 0.85565319 0.63062780 0.85008943 1.0
Br Br129 1 0.35565319 0.13062780 0.64991057 1.0
Br Br130 1 0.14434681 0.36937220 0.14991057 1.0
Br Br131 1 0.64434681 0.86937220 0.35008943 1.0
Br Br132 1 0.30692337 0.47871868 0.86489726 1.0
Br Br133 1 0.80692337 0.97871868 0.63510274 1.0
Br Br134 1 0.69307663 0.52128132 0.13510274 1.0
Br Br135 1 0.19307663 0.02128132 0.36489726 1.0
Br Br136 1 0.77061530 0.63442413 0.76764931 1.0
Br Br137 1 0.27061530 0.13442413 0.73235069 1.0
Br Br138 1 0.22938470 0.36557587 0.23235069 1.0
Br Br139 1 0.72938470 0.86557587 0.26764931 1.0