Rh9Se20
传统材料 TRAMP-ID: mp-684800 · 空间群: P-1 (#2)
基础信息
化学式
Rh9Se20
MP-ID
mp-684800
元素数
2
位点数
116
密度
7.3620
g/cm³
体积
2,260.39
ų
晶胞参数 a
6.0866
Å
晶胞参数 b
6.0882
Å
晶胞参数 c
61.0001
Å
α 角
90.01
°
β 角
90.37
°
γ 角
90.03
°
空间群
P-1
点群
-1
晶体系统
Triclinic
Bravais 格子
aP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.46580
eV/atom
能量/原子
-17.82639
eV/atom
凸包距离
0.0272
eV/atom
未修正能量
-5.0800
eV/atom
体积/原子
19.49
ų
c/a 比
10.0220
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
0.1304
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000060
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
Se · 0.690
元素家族
N/A
溶质分数
0.310
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.698
家族
Binary Alloy
基质元素
Se · 0.690
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-684800
参考引用
The crystal structure and related material properties of Rh9Se20 were obtained from the Materials Project database (MP-ID: mp-684800, 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_Rh9Se20
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08660803
_cell_length_b 6.08818109
_cell_length_c 61.00010123
_cell_angle_alpha 90.00961627
_cell_angle_beta 90.37312587
_cell_angle_gamma 90.03439780
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rh9Se20
_chemical_formula_sum 'Rh36 Se80'
_cell_volume 2260.39406588
_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
Rh Rh0 1 0.99887158 0.00459714 0.00010541 1.0
Rh Rh1 1 0.00000000 0.00000000 0.10000000 1.0
Rh Rh2 1 0.00112842 0.99540286 0.19989459 1.0
Rh Rh3 1 0.99748407 0.00050187 0.39994338 1.0
Rh Rh4 1 0.99990929 0.00015499 0.49993744 1.0
Rh Rh5 1 0.00000000 0.00000000 0.60000000 1.0
Rh Rh6 1 0.00009071 0.99984501 0.70006256 1.0
Rh Rh7 1 0.00025086 0.49998256 0.74998479 1.0
Rh Rh8 1 0.00251593 0.99949813 0.80005662 1.0
Rh Rh9 1 0.00058647 0.49609678 0.85005948 1.0
Rh Rh10 1 0.00094863 0.50428725 0.95007755 1.0
Rh Rh11 1 0.50764449 0.49708960 0.99993263 1.0
Rh Rh12 1 0.50092238 0.00023137 0.14990488 1.0
Rh Rh13 1 0.50000000 0.50000000 0.10000000 1.0
Rh Rh14 1 0.49907762 0.99976863 0.05009512 1.0
Rh Rh15 1 0.49970974 0.50002416 0.30001461 1.0
Rh Rh16 1 0.49235551 0.50291040 0.20006737 1.0
Rh Rh17 1 0.50099491 0.49953666 0.39988765 1.0
Rh Rh18 1 0.49992643 0.49994146 0.49999041 1.0
Rh Rh19 1 0.49325344 0.99671742 0.35005978 1.0
Rh Rh20 1 0.50000000 0.50000000 0.60000000 1.0
Rh Rh21 1 0.50723537 0.00362458 0.24976159 1.0
Rh Rh22 1 0.50023252 0.00043480 0.45003388 1.0
Rh Rh23 1 0.49994174 0.00008551 0.65001873 1.0
Rh Rh24 1 0.50005826 0.99991449 0.54998127 1.0
Rh Rh25 1 0.49976748 0.99956520 0.74996612 1.0
Rh Rh26 1 0.50007357 0.50005854 0.70000959 1.0
Rh Rh27 1 0.50674656 0.00328258 0.84994022 1.0
Rh Rh28 1 0.49900509 0.50046334 0.80011235 1.0
Rh Rh29 1 0.50029026 0.49997584 0.89998539 1.0
Rh Rh30 1 0.49276463 0.99637542 0.95023841 1.0
Rh Rh31 1 0.99905137 0.49571275 0.24992245 1.0
Rh Rh32 1 0.99941353 0.50390322 0.34994052 1.0
Rh Rh33 1 0.99974914 0.50001744 0.45001521 1.0
Rh Rh34 1 0.99985860 0.49997212 0.55000102 1.0
Rh Rh35 1 0.00014140 0.50002788 0.64999898 1.0
Se Se36 1 0.11488784 0.61752622 0.08863122 1.0
Se Se37 1 0.11633940 0.62190347 0.18790648 1.0
Se Se38 1 0.11881260 0.61528980 0.28842840 1.0
Se Se39 1 0.12140956 0.62125207 0.38790657 1.0
Se Se40 1 0.12274133 0.62303311 0.48780892 1.0
Se Se41 1 0.11736827 0.88506276 0.03855893 1.0
Se Se42 1 0.12248486 0.62277635 0.58782658 1.0
Se Se43 1 0.11758408 0.87740324 0.33784732 1.0
Se Se44 1 0.11847058 0.88663625 0.13842943 1.0
Se Se45 1 0.12240827 0.62271211 0.68777856 1.0
Se Se46 1 0.11640030 0.88520232 0.23869961 1.0
Se Se47 1 0.12087175 0.62164197 0.78791356 1.0
Se Se48 1 0.11901685 0.61475311 0.88842821 1.0
Se Se49 1 0.11657203 0.61524728 0.98880662 1.0
Se Se50 1 0.12254835 0.87712043 0.53780546 1.0
Se Se51 1 0.12286887 0.87675942 0.43776928 1.0
Se Se52 1 0.12236037 0.87742855 0.63782016 1.0
Se Se53 1 0.11772902 0.88432282 0.83870518 1.0
Se Se54 1 0.12207761 0.87741978 0.73783959 1.0
Se Se55 1 0.11699506 0.87754991 0.93791089 1.0
Se Se56 1 0.37886736 0.12099740 0.08796902 1.0
Se Se57 1 0.38767705 0.11634243 0.28803720 1.0
Se Se58 1 0.37835511 0.12095651 0.18762297 1.0
Se Se59 1 0.37740154 0.12124576 0.38783056 1.0
Se Se60 1 0.38770816 0.38367085 0.03817201 1.0
Se Se61 1 0.37706610 0.12244447 0.48777273 1.0
Se Se62 1 0.38682057 0.38450947 0.13816721 1.0
Se Se63 1 0.37724471 0.12226441 0.58775820 1.0
Se Se64 1 0.37725469 0.12228670 0.68774090 1.0
Se Se65 1 0.37870026 0.37963486 0.23793816 1.0
Se Se66 1 0.38734405 0.11624811 0.88809075 1.0
Se Se67 1 0.37732749 0.37771849 0.33771821 1.0
Se Se68 1 0.37822516 0.12175969 0.78774086 1.0
Se Se69 1 0.37832606 0.12081481 0.98805354 1.0
Se Se70 1 0.37767826 0.37778980 0.43778482 1.0
Se Se71 1 0.37702105 0.37757117 0.53780537 1.0
Se Se72 1 0.37729292 0.37777387 0.63775518 1.0
Se Se73 1 0.37717076 0.37766900 0.73770016 1.0
Se Se74 1 0.37816600 0.37909392 0.83796090 1.0
Se Se75 1 0.37696636 0.37773466 0.93770274 1.0
Se Se76 1 0.61229184 0.61632915 0.16182799 1.0
Se Se77 1 0.61317943 0.61549053 0.06183279 1.0
Se Se78 1 0.62303364 0.62226534 0.26229726 1.0
Se Se79 1 0.62183400 0.62090608 0.36203910 1.0
Se Se80 1 0.62164489 0.87904349 0.01237703 1.0
Se Se81 1 0.62282924 0.62233100 0.46229984 1.0
Se Se82 1 0.62113264 0.87900260 0.11203098 1.0
Se Se83 1 0.62270708 0.62222613 0.56224482 1.0
Se Se84 1 0.62297895 0.62242883 0.66219463 1.0
Se Se85 1 0.62167394 0.87918519 0.21194646 1.0
Se Se86 1 0.62232174 0.62221020 0.76221518 1.0
Se Se87 1 0.62267251 0.62228151 0.86228179 1.0
Se Se88 1 0.62177484 0.87824031 0.41225914 1.0
Se Se89 1 0.62274531 0.87771330 0.51225910 1.0
Se Se90 1 0.62129974 0.62036514 0.96206184 1.0
Se Se91 1 0.61265595 0.88375189 0.31190925 1.0
Se Se92 1 0.62275529 0.87773559 0.61224180 1.0
Se Se93 1 0.62293390 0.87755553 0.71222727 1.0
Se Se94 1 0.62259846 0.87875424 0.81216944 1.0
Se Se95 1 0.61232295 0.88365757 0.91196280 1.0
Se Se96 1 0.88152942 0.11336375 0.06157057 1.0
Se Se97 1 0.88263173 0.11493724 0.16144107 1.0
Se Se98 1 0.88300494 0.12245009 0.26208911 1.0
Se Se99 1 0.88227098 0.11567718 0.36129482 1.0
Se Se100 1 0.87792239 0.12258022 0.46216041 1.0
Se Se101 1 0.87763963 0.12257145 0.56217984 1.0
Se Se102 1 0.88366060 0.37809653 0.01209352 1.0
Se Se103 1 0.88511216 0.38247378 0.11136878 1.0
Se Se104 1 0.87745165 0.12287957 0.66219454 1.0
Se Se105 1 0.87713113 0.12324058 0.76223072 1.0
Se Se106 1 0.88342797 0.38475272 0.21119338 1.0
Se Se107 1 0.88098315 0.38524689 0.31157179 1.0
Se Se108 1 0.88241592 0.12259676 0.86215268 1.0
Se Se109 1 0.88359970 0.11479768 0.96130039 1.0
Se Se110 1 0.87912825 0.37835803 0.41208644 1.0
Se Se111 1 0.87759173 0.37728789 0.51222144 1.0
Se Se112 1 0.87751514 0.37722365 0.61217342 1.0
Se Se113 1 0.87725867 0.37696689 0.71219108 1.0
Se Se114 1 0.87859044 0.37874793 0.81209343 1.0
Se Se115 1 0.88118740 0.38471020 0.91157160 1.0