基础信息
化学式
Mg2Co3Sn10
MP-ID
mp-1226994
元素数
3
位点数
120
密度
7.0414
g/cm³
体积
2,664.85
ų
晶胞参数 a
9.5049
Å
晶胞参数 b
9.4826
Å
晶胞参数 c
34.1679
Å
α 角
89.84
°
β 角
90.00
°
γ 角
120.08
°
空间群
Cm
点群
m
晶体系统
Monoclinic
Bravais 格子
mC
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.05921
eV/atom
能量/原子
-4.37634
eV/atom
凸包距离
0.0135
eV/atom
未修正能量
-4.3763
eV/atom
体积/原子
22.21
ų
c/a 比
3.5948
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
0.3644
μB
磁有序
FM
磁性位点数
1
磁化强度/体积
0.000140
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
Sn · 0.667
元素家族
N/A
溶质分数
0.333
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.784
家族
Sn-rich Multi-Component
基质元素
Sn · 0.667
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-1226994
参考引用
The crystal structure and related material properties of Mg2Co3Sn10 were obtained from the Materials Project database (MP-ID: mp-1226994, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_Mg2Co3Sn10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.50490412
_cell_length_b 9.48262331
_cell_length_c 34.16786128
_cell_angle_alpha 89.83573335
_cell_angle_beta 90.00214023
_cell_angle_gamma 120.07979870
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2Co3Sn10
_chemical_formula_sum 'Mg16 Co24 Sn80'
_cell_volume 2664.84855483
_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
Mg Mg0 1 0.33352848 0.66706291 0.63723671 1.0
Mg Mg1 1 0.66769479 0.33537530 0.36338099 1.0
Mg Mg2 1 0.66666274 0.33330887 0.13760451 1.0
Mg Mg3 1 0.33341009 0.66683321 0.86225114 1.0
Mg Mg4 1 0.34282258 0.17195803 0.69815925 1.0
Mg Mg5 1 0.82872447 0.65745715 0.69837191 1.0
Mg Mg6 1 0.82913239 0.17195065 0.69815895 1.0
Mg Mg7 1 0.65640968 0.82732357 0.30132160 1.0
Mg Mg8 1 0.17217032 0.34434399 0.30093705 1.0
Mg Mg9 1 0.17091690 0.82732247 0.30132249 1.0
Mg Mg10 1 0.65517449 0.82754109 0.19983384 1.0
Mg Mg11 1 0.17253844 0.34506919 0.19969642 1.0
Mg Mg12 1 0.17236472 0.82753959 0.19983399 1.0
Mg Mg13 1 0.34423674 0.17238071 0.80016149 1.0
Mg Mg14 1 0.82787768 0.65578633 0.80020392 1.0
Mg Mg15 1 0.82813724 0.17236286 0.80016114 1.0
Co Co16 1 0.16760483 0.83547736 0.67725900 1.0
Co Co17 1 0.66787875 0.83548295 0.67725942 1.0
Co Co18 1 0.16668279 0.33335306 0.67695262 1.0
Co Co19 1 0.83437281 0.16532654 0.32226056 1.0
Co Co20 1 0.33095460 0.16532874 0.32226187 1.0
Co Co21 1 0.83396112 0.66792030 0.32334108 1.0
Co Co22 1 0.83507386 0.16494666 0.17645577 1.0
Co Co23 1 0.32986672 0.16493709 0.17645624 1.0
Co Co24 1 0.83496422 0.66993523 0.17651204 1.0
Co Co25 1 0.16579860 0.83538491 0.82372427 1.0
Co Co26 1 0.66958869 0.83539523 0.82372156 1.0
Co Co27 1 0.16507945 0.33016620 0.82355348 1.0
Co Co28 1 0.84009838 0.16599275 0.55636307 1.0
Co Co29 1 0.32590326 0.16598028 0.55635941 1.0
Co Co30 1 0.83940119 0.67880282 0.56107302 1.0
Co Co31 1 0.17288554 0.84983133 0.44132407 1.0
Co Co32 1 0.67696225 0.84982689 0.44131915 1.0
Co Co33 1 0.15681690 0.31362200 0.44303303 1.0
Co Co34 1 0.15720317 0.84285993 0.05510223 1.0
Co Co35 1 0.68565846 0.84286543 0.05510139 1.0
Co Co36 1 0.15699825 0.31399663 0.05500609 1.0
Co Co37 1 0.84268082 0.15718211 0.94508669 1.0
Co Co38 1 0.31449011 0.15718027 0.94508731 1.0
Co Co39 1 0.84294505 0.68589850 0.94517363 1.0
Sn Sn40 1 0.90116997 0.45646550 0.53669529 1.0
Sn Sn41 1 0.54697430 0.09394385 0.53877115 1.0
Sn Sn42 1 0.55528983 0.45647703 0.53669670 1.0
Sn Sn43 1 0.10985080 0.55556158 0.46517144 1.0
Sn Sn44 1 0.44557302 0.89112781 0.46698377 1.0
Sn Sn45 1 0.44573251 0.55551786 0.46515785 1.0
Sn Sn46 1 0.11045836 0.55516765 0.03766178 1.0
Sn Sn47 1 0.44501942 0.89001632 0.03778492 1.0
Sn Sn48 1 0.44469332 0.55518567 0.03766710 1.0
Sn Sn49 1 0.88934188 0.44459062 0.96239532 1.0
Sn Sn50 1 0.55464955 0.10929173 0.96235514 1.0
Sn Sn51 1 0.55525259 0.44457422 0.96240053 1.0
Sn Sn52 1 0.00028503 0.00053706 0.65735733 1.0
Sn Sn53 1 0.00004027 0.00007815 0.33967475 1.0
Sn Sn54 1 0.00002786 0.00005078 0.16359846 1.0
Sn Sn55 1 0.99992233 0.99985680 0.83628947 1.0
Sn Sn56 1 0.66680553 0.33354706 0.74956193 1.0
Sn Sn57 1 0.33439033 0.66881441 0.24864624 1.0
Sn Sn58 1 0.33496690 0.66992060 0.54830429 1.0
Sn Sn59 1 0.66321647 0.32640391 0.45244360 1.0
Sn Sn60 1 0.66652819 0.33304217 0.05016907 1.0
Sn Sn61 1 0.33329280 0.66668372 0.94998456 1.0
Sn Sn62 1 0.66695421 0.33385828 0.65265127 1.0
Sn Sn63 1 0.33370095 0.66738999 0.34567538 1.0
Sn Sn64 1 0.33318869 0.66641775 0.15466298 1.0
Sn Sn65 1 0.66675948 0.33347893 0.84462018 1.0
Sn Sn66 1 0.11105155 0.88876672 0.74959635 1.0
Sn Sn67 1 0.77774016 0.88877088 0.74960216 1.0
Sn Sn68 1 0.11096708 0.22189826 0.74944182 1.0
Sn Sn69 1 0.88896842 0.11096622 0.25003420 1.0
Sn Sn70 1 0.22196576 0.11095787 0.25003057 1.0
Sn Sn71 1 0.88879613 0.77761207 0.25030514 1.0
Sn Sn72 1 0.45187514 0.90378510 0.70594041 1.0
Sn Sn73 1 0.45171324 0.54888054 0.70599159 1.0
Sn Sn74 1 0.09715763 0.54888129 0.70599835 1.0
Sn Sn75 1 0.54983122 0.09965544 0.29356175 1.0
Sn Sn76 1 0.54938943 0.45122018 0.29408252 1.0
Sn Sn77 1 0.90185198 0.45123859 0.29408853 1.0
Sn Sn78 1 0.55127486 0.10255225 0.20699966 1.0
Sn Sn79 1 0.55158188 0.44791256 0.20718237 1.0
Sn Sn80 1 0.89632787 0.44789550 0.20718726 1.0
Sn Sn81 1 0.44902545 0.89799001 0.79286907 1.0
Sn Sn82 1 0.44877176 0.55175828 0.79289822 1.0
Sn Sn83 1 0.10295811 0.55172324 0.79289911 1.0
Sn Sn84 1 0.00189646 0.66337985 0.61706293 1.0
Sn Sn85 1 0.66743561 0.00269989 0.61592419 1.0
Sn Sn86 1 0.33558362 0.33650570 0.61560845 1.0
Sn Sn87 1 0.66151295 0.66339839 0.61706872 1.0
Sn Sn88 1 0.33529564 0.00267930 0.61591517 1.0
Sn Sn89 1 0.00093249 0.33653079 0.61561385 1.0
Sn Sn90 1 0.00434682 0.33830416 0.38271139 1.0
Sn Sn91 1 0.34061584 0.99766152 0.38177589 1.0
Sn Sn92 1 0.65819673 0.66048772 0.38423008 1.0
Sn Sn93 1 0.33396478 0.33833461 0.38270641 1.0
Sn Sn94 1 0.65703833 0.99767714 0.38177702 1.0
Sn Sn95 1 0.00224681 0.66046950 0.38424445 1.0
Sn Sn96 1 0.00991596 0.34460436 0.11845517 1.0
Sn Sn97 1 0.33508828 0.99065514 0.11850192 1.0
Sn Sn98 1 0.65562164 0.66531164 0.11859246 1.0
Sn Sn99 1 0.33470463 0.34459989 0.11845103 1.0
Sn Sn100 1 0.65557290 0.99066539 0.11850274 1.0
Sn Sn101 1 0.00967733 0.66533849 0.11859946 1.0
Sn Sn102 1 0.99012275 0.65504435 0.88157340 1.0
Sn Sn103 1 0.66518163 0.01007647 0.88160787 1.0
Sn Sn104 1 0.34492203 0.33550727 0.88159306 1.0
Sn Sn105 1 0.66487413 0.65505832 0.88156737 1.0
Sn Sn106 1 0.34494060 0.01009103 0.88161254 1.0
Sn Sn107 1 0.99054627 0.33547508 0.88159197 1.0
Sn Sn108 1 0.00114633 0.00228876 0.56570495 1.0
Sn Sn109 1 0.98727803 0.97456905 0.42601262 1.0
Sn Sn110 1 0.99997895 0.99995626 0.07793681 1.0
Sn Sn111 1 0.00005192 0.00013077 0.92187964 1.0
Sn Sn112 1 0.86540353 0.13642787 0.48121495 1.0
Sn Sn113 1 0.27106310 0.13645099 0.48121744 1.0
Sn Sn114 1 0.84834461 0.69676772 0.02742361 1.0
Sn Sn115 1 0.84834804 0.15185227 0.02735639 1.0
Sn Sn116 1 0.30352048 0.15189347 0.02735654 1.0
Sn Sn117 1 0.15126354 0.30247271 0.97256905 1.0
Sn Sn118 1 0.15143623 0.84853252 0.97273248 1.0
Sn Sn119 1 0.69699721 0.84846799 0.97271602 1.0
