Sr21Hg109
传统材料 TRAMP-ID: mp-1219820 · 空间群: P1 (#1)
基础信息
化学式
Sr21Hg109
MP-ID
mp-1219820
元素数
2
位点数
130
密度
10.9953
g/cm³
体积
3,579.88
ų
晶胞参数 a
9.9243
Å
晶胞参数 b
13.5506
Å
晶胞参数 c
26.6266
Å
α 角
91.25
°
β 角
90.01
°
γ 角
89.94
°
空间群
P1
点群
1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.28032
eV/atom
能量/原子
-0.81336
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-0.8134
eV/atom
体积/原子
27.54
ų
c/a 比
2.6830
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
0.0983
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000030
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
Hg · 0.838
元素家族
N/A
溶质分数
0.162
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.631
家族
Binary Alloy
基质元素
Hg · 0.838
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-1219820
参考引用
The crystal structure and related material properties of Sr21Hg109 were obtained from the Materials Project database (MP-ID: mp-1219820, 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_Sr21Hg109
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.92427329
_cell_length_b 13.55057228
_cell_length_c 26.62654948
_cell_angle_alpha 91.24711023
_cell_angle_beta 90.01402321
_cell_angle_gamma 89.93634893
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr21Hg109
_chemical_formula_sum 'Sr21 Hg109'
_cell_volume 3579.87678110
_cell_formula_units_Z 1
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 0.49772838 0.58211277 0.37497010 1.0
Sr Sr1 1 0.50071957 0.08009028 0.87081782 1.0
Sr Sr2 1 0.50098419 0.15002922 0.09210579 1.0
Sr Sr3 1 0.50485718 0.65043365 0.59449686 1.0
Sr Sr4 1 0.49890787 0.77139855 0.01931863 1.0
Sr Sr5 1 0.50114276 0.27242714 0.52224026 1.0
Sr Sr6 1 0.50158986 0.93846933 0.46980455 1.0
Sr Sr7 1 0.50035965 0.43824800 0.96754292 1.0
Sr Sr8 1 0.50036423 0.82480505 0.23006232 1.0
Sr Sr9 1 0.50136392 0.32731975 0.73143255 1.0
Sr Sr10 1 0.50094541 0.23692104 0.30294140 1.0
Sr Sr11 1 0.50106993 0.73806893 0.80134177 1.0
Sr Sr12 1 0.20643841 0.49638763 0.16531607 1.0
Sr Sr13 1 0.18181085 0.99529692 0.66626873 1.0
Sr Sr14 1 0.79208330 0.49629358 0.16543213 1.0
Sr Sr15 1 0.99947561 0.77652504 0.35271035 1.0
Sr Sr16 1 0.99931447 0.27583611 0.85253295 1.0
Sr Sr17 1 0.99917148 0.08470179 0.21576369 1.0
Sr Sr18 1 0.00057469 0.58790029 0.71598039 1.0
Sr Sr19 1 0.99924658 0.12960016 0.43312278 1.0
Sr Sr20 1 0.99906678 0.62811256 0.93196456 1.0
Hg Hg21 1 0.33451480 0.71638961 0.47361466 1.0
Hg Hg22 1 0.33430590 0.21479768 0.97197024 1.0
Hg Hg23 1 0.34205203 0.93716244 0.12121554 1.0
Hg Hg24 1 0.34878034 0.43256507 0.62163521 1.0
Hg Hg25 1 0.33590556 0.36773467 0.40523094 1.0
Hg Hg26 1 0.33760399 0.86828586 0.90529798 1.0
Hg Hg27 1 0.67014597 0.71734775 0.47524359 1.0
Hg Hg28 1 0.66144913 0.21444571 0.97294998 1.0
Hg Hg29 1 0.65645236 0.93619790 0.12130294 1.0
Hg Hg30 1 0.66709290 0.42868966 0.62325706 1.0
Hg Hg31 1 0.66305052 0.36960961 0.40530701 1.0
Hg Hg32 1 0.66688918 0.86922812 0.90423384 1.0
Hg Hg33 1 0.50165461 -0.00066499 0.33381416 1.0
Hg Hg34 1 0.49993978 0.50140502 0.83342473 1.0
Hg Hg35 1 0.16576607 0.99351108 0.33246765 1.0
Hg Hg36 1 0.16550589 0.49233407 0.83302641 1.0
Hg Hg37 1 0.83474726 0.99227283 0.33193302 1.0
Hg Hg38 1 0.83483297 0.49255262 0.83281194 1.0
Hg Hg39 1 0.29727041 0.43306736 0.29185190 1.0
Hg Hg40 1 0.29775645 0.93439752 0.79109291 1.0
Hg Hg41 1 0.29943033 0.34483647 0.06682532 1.0
Hg Hg42 1 0.29370982 0.84161123 0.56913402 1.0
Hg Hg43 1 0.30137023 0.72444802 0.13503020 1.0
Hg Hg44 1 0.29671062 0.22186627 0.63697431 1.0
Hg Hg45 1 0.70136898 0.43506765 0.29168109 1.0
Hg Hg46 1 0.69942963 0.93562303 0.78767969 1.0
Hg Hg47 1 0.69886602 0.34409934 0.06692966 1.0
Hg Hg48 1 0.69655981 0.85581346 0.57172130 1.0
Hg Hg49 1 0.69986786 0.72393882 0.13309010 1.0
Hg Hg50 1 0.70772094 0.20925737 0.63723106 1.0
Hg Hg51 1 0.26112088 0.66645508 0.27825200 1.0
Hg Hg52 1 0.26096879 0.16500405 0.77714455 1.0
Hg Hg53 1 0.27160003 0.24870393 0.19725499 1.0
Hg Hg54 1 0.26601289 0.74852362 0.69684719 1.0
Hg Hg55 1 0.25364957 0.58139814 0.02466441 1.0
Hg Hg56 1 0.25484032 0.08208760 0.52293608 1.0
Hg Hg57 1 0.73848025 0.66659466 0.27790146 1.0
Hg Hg58 1 0.73646240 0.16335374 0.77860261 1.0
Hg Hg59 1 0.72947607 0.24868708 0.19802784 1.0
Hg Hg60 1 0.73225892 0.75857951 0.69547667 1.0
Hg Hg61 1 0.74293494 0.58329176 0.02370162 1.0
Hg Hg62 1 0.74262385 0.08476185 0.52627856 1.0
Hg Hg63 1 0.16832364 0.91321704 0.44485072 1.0
Hg Hg64 1 0.16577239 0.41186562 0.94567243 1.0
Hg Hg65 1 0.16146043 0.86668767 0.23383758 1.0
Hg Hg66 1 0.16167532 0.36830500 0.73448180 1.0
Hg Hg67 1 0.16383220 0.21519748 0.31822593 1.0
Hg Hg68 1 0.16973446 0.71327277 0.81991992 1.0
Hg Hg69 1 0.83254068 0.91394693 0.44453991 1.0
Hg Hg70 1 0.83660081 0.41191971 0.94627464 1.0
Hg Hg71 1 0.83697277 0.86635728 0.23324115 1.0
Hg Hg72 1 0.83611802 0.36741924 0.73485888 1.0
Hg Hg73 1 0.83587612 0.21530668 0.31904067 1.0
Hg Hg74 1 0.83378579 0.71381219 0.82009092 1.0
Hg Hg75 1 0.49883363 0.57497958 0.22193575 1.0
Hg Hg76 1 0.50008723 0.08073296 0.71543946 1.0
Hg Hg77 1 0.50052050 0.37098033 0.16703058 1.0
Hg Hg78 1 0.49208365 0.87726782 0.66903959 1.0
Hg Hg79 1 0.49995113 0.55144551 0.09310922 1.0
Hg Hg80 1 0.49183226 0.05104595 0.59304560 1.0
Hg Hg81 1 0.16574595 0.57293722 0.39987119 1.0
Hg Hg82 1 0.16865766 0.06970749 0.89856972 1.0
Hg Hg83 1 0.16292092 0.11595843 0.09555334 1.0
Hg Hg84 1 0.16852320 0.60743824 0.59462637 1.0
Hg Hg85 1 0.16211355 0.81285770 0.01049223 1.0
Hg Hg86 1 0.16648779 0.31548366 0.50950370 1.0
Hg Hg87 1 0.83102199 0.57035111 0.39744366 1.0
Hg Hg88 1 0.83253420 0.07206465 0.90023860 1.0
Hg Hg89 1 0.84074099 0.11317871 0.09588662 1.0
Hg Hg90 1 0.83850387 0.61579421 0.59575119 1.0
Hg Hg91 1 0.83612146 0.81167256 0.00910924 1.0
Hg Hg92 1 0.83710334 0.31403763 0.50901333 1.0
Hg Hg93 1 0.34410932 0.80751885 0.36169327 1.0
Hg Hg94 1 0.34628926 0.30629171 0.86086964 1.0
Hg Hg95 1 0.34598801 0.04965596 0.22825859 1.0
Hg Hg96 1 0.34811375 0.55022706 0.72664774 1.0
Hg Hg97 1 0.34541534 0.14119502 0.41419530 1.0
Hg Hg98 1 0.34179631 0.64179500 0.91538149 1.0
Hg Hg99 1 0.65202484 0.80545530 0.36187933 1.0
Hg Hg100 1 0.65382107 0.30767232 0.86220910 1.0
Hg Hg101 1 0.65247210 0.04943734 0.22719472 1.0
Hg Hg102 1 0.65588482 0.55502934 0.72569668 1.0
Hg Hg103 1 0.65889479 0.14219938 0.41534810 1.0
Hg Hg104 1 0.65519512 0.64213035 0.91440263 1.0
Hg Hg105 1 0.00044709 0.73676357 0.50069671 1.0
Hg Hg106 1 0.99902726 0.23676079 0.00194455 1.0
Hg Hg107 1 0.00069126 0.89589508 0.11687890 1.0
Hg Hg108 1 0.99852712 0.39753781 0.61704565 1.0
Hg Hg109 1 0.00222456 0.36511464 0.39449605 1.0
Hg Hg110 1 0.00204531 0.86451351 0.89500953 1.0
Hg Hg111 1 0.99910138 0.34781515 0.24636882 1.0
Hg Hg112 1 0.99893656 0.84382880 0.75009926 1.0
Hg Hg113 1 0.99763158 0.44711564 0.05193898 1.0
Hg Hg114 1 0.99748392 0.94677133 0.54884146 1.0
Hg Hg115 1 0.99901915 0.68426869 0.19875882 1.0
Hg Hg116 1 0.99451406 0.18795788 0.69675908 1.0
Hg Hg117 1 0.00188690 0.01594401 0.99995278 1.0
Hg Hg118 1 0.99879628 0.51615476 0.49975539 1.0
Hg Hg119 1 0.00178019 0.54621276 0.29524539 1.0
Hg Hg120 1 0.99803180 0.04517996 0.79539846 1.0
Hg Hg121 1 0.99857053 0.29608220 0.13301565 1.0
Hg Hg122 1 0.00203231 0.79320099 0.63101213 1.0
Hg Hg123 1 0.99952155 0.66501745 0.08451482 1.0
Hg Hg124 1 0.00575434 0.16679755 0.58167230 1.0
Hg Hg125 1 0.33790322 0.00158122 0.00564552 1.0
Hg Hg126 1 0.34223987 0.50301372 0.50533896 1.0
Hg Hg127 1 0.66420417 0.00194917 0.00695805 1.0
Hg Hg128 1 0.66538241 0.50241073 0.50719941 1.0
Hg Hg129 1 0.80937207 0.99205356 0.66644974 1.0