Dy(CrS2)3
传统材料 TRAMP-ID: mp-532220 · 空间群: Pna2_1 (#33)
基础信息
化学式
Dy(CrS2)3
MP-ID
mp-532220
元素数
3
位点数
160
密度
4.6219
g/cm³
体积
2,936.72
ų
晶胞参数 a
10.6973
Å
晶胞参数 b
12.6562
Å
晶胞参数 c
21.6914
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pna2_1
点群
mm2
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
-1.31288
eV/atom
能量/原子
-7.15307
eV/atom
凸包距离
0.0251
eV/atom
未修正能量
-6.8513
eV/atom
体积/原子
18.35
ų
c/a 比
2.0278
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
143.0658
μB
磁有序
FM
磁性位点数
60
磁化强度/体积
0.048720
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
S · 0.600
元素家族
N/A
溶质分数
0.400
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.555
家族
S-rich Multi-Component
基质元素
S · 0.600
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-532220
参考引用
The crystal structure and related material properties of Dy(CrS2)3 were obtained from the Materials Project database (MP-ID: mp-532220, 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_Dy(CrS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.69725300
_cell_length_b 12.65619400
_cell_length_c 21.69141100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(CrS2)3
_chemical_formula_sum 'Dy16 Cr48 S96'
_cell_volume 2936.72441567
_cell_formula_units_Z 16
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
Dy Dy0 1 0.08309900 0.16442300 0.49285600 1.0
Dy Dy1 1 0.08377400 0.00033700 0.74323100 1.0
Dy Dy2 1 0.08340700 0.16238700 0.99331600 1.0
Dy Dy3 1 0.24981000 0.66309000 0.50824100 1.0
Dy Dy4 1 0.25019000 0.66309000 0.00824100 1.0
Dy Dy5 1 0.41622600 0.00033700 0.24323100 1.0
Dy Dy6 1 0.41659300 0.16238700 0.49331600 1.0
Dy Dy7 1 0.41690100 0.16442300 0.99285600 1.0
Dy Dy8 1 0.58340700 0.66238700 0.50668400 1.0
Dy Dy9 1 0.58377400 0.50033700 0.75676900 1.0
Dy Dy10 1 0.58309900 0.66442300 0.00714400 1.0
Dy Dy11 1 0.75019000 0.16309000 0.49175900 1.0
Dy Dy12 1 0.74981000 0.16309000 0.99175900 1.0
Dy Dy13 1 0.91622600 0.50033700 0.25676900 1.0
Dy Dy14 1 0.91690100 0.66442300 0.50714400 1.0
Dy Dy15 1 0.91659300 0.66238700 0.00668400 1.0
Cr Cr16 1 0.08385400 0.42696900 0.41816600 1.0
Cr Cr17 1 0.08337700 0.22390300 0.65282100 1.0
Cr Cr18 1 0.08124200 0.94732600 0.39609900 1.0
Cr Cr19 1 0.08345700 0.42727900 0.91536000 1.0
Cr Cr20 1 0.08058600 0.21296400 0.15509200 1.0
Cr Cr21 1 0.08314700 0.94395100 0.90052100 1.0
Cr Cr22 1 0.08101600 0.73865700 0.17235000 1.0
Cr Cr23 1 0.25080600 0.92794600 0.58232600 1.0
Cr Cr24 1 0.24919400 0.92794600 0.08232600 1.0
Cr Cr25 1 0.25221900 0.71246300 0.34480700 1.0
Cr Cr26 1 0.24778100 0.71246300 0.84480700 1.0
Cr Cr27 1 0.24850400 0.44793200 0.60385100 1.0
Cr Cr28 1 0.25149600 0.44793200 0.10385100 1.0
Cr Cr29 1 0.25169800 0.23874900 0.32725500 1.0
Cr Cr30 1 0.24830200 0.23874900 0.82725500 1.0
Cr Cr31 1 0.41898400 0.73865700 0.67235000 1.0
Cr Cr32 1 0.41664500 0.73628300 0.17203000 1.0
Cr Cr33 1 0.41685300 0.94395100 0.40052100 1.0
Cr Cr34 1 0.41875800 0.94732600 0.89609900 1.0
Cr Cr35 1 0.41941400 0.21296400 0.65509200 1.0
Cr Cr36 1 0.41662300 0.22390300 0.15282100 1.0
Cr Cr37 1 0.41654300 0.42727900 0.41536000 1.0
Cr Cr38 1 0.41614600 0.42696900 0.91816600 1.0
Cr Cr39 1 0.58101600 0.23865700 0.32765000 1.0
Cr Cr40 1 0.58058600 0.71296400 0.34490800 1.0
Cr Cr41 1 0.58335500 0.23628300 0.82797000 1.0
Cr Cr42 1 0.58345700 0.92727900 0.58464000 1.0
Cr Cr43 1 0.58314700 0.44395100 0.59947900 1.0
Cr Cr44 1 0.58337700 0.72390300 0.84717900 1.0
Cr Cr45 1 0.58124200 0.44732600 0.10390100 1.0
Cr Cr46 1 0.58385400 0.92696900 0.08183400 1.0
Cr Cr47 1 0.74919400 0.42794600 0.41767400 1.0
Cr Cr48 1 0.75080600 0.42794600 0.91767400 1.0
Cr Cr49 1 0.74778100 0.21246300 0.65519300 1.0
Cr Cr50 1 0.75221900 0.21246300 0.15519300 1.0
Cr Cr51 1 0.75149600 0.94793200 0.39614900 1.0
Cr Cr52 1 0.74850400 0.94793200 0.89614900 1.0
Cr Cr53 1 0.75169800 0.73874900 0.17274500 1.0
Cr Cr54 1 0.74830200 0.73874900 0.67274500 1.0
Cr Cr55 1 0.91664500 0.23628300 0.32797000 1.0
Cr Cr56 1 0.91898400 0.23865700 0.82765000 1.0
Cr Cr57 1 0.91875800 0.44732600 0.60390100 1.0
Cr Cr58 1 0.91685300 0.44395100 0.09947900 1.0
Cr Cr59 1 0.91662300 0.72390300 0.34717900 1.0
Cr Cr60 1 0.91941400 0.71296400 0.84490800 1.0
Cr Cr61 1 0.91614600 0.92696900 0.58183400 1.0
Cr Cr62 1 0.91654300 0.92727900 0.08464000 1.0
Cr Cr63 1 0.08335500 0.73628300 0.67203000 1.0
S S64 1 0.08350800 0.12440400 0.36322400 1.0
S S65 1 0.08221500 0.36375600 0.31501000 1.0
S S66 1 0.07988300 0.67254400 0.27675800 1.0
S S67 1 0.08318100 0.04462900 0.60628500 1.0
S S68 1 0.08254900 0.49490400 0.52634500 1.0
S S69 1 0.08384600 0.75973900 0.42162400 1.0
S S70 1 0.08352400 0.40515300 0.67052900 1.0
S S71 1 0.08359900 0.11892000 0.85520500 1.0
S S72 1 0.08345200 0.80022500 0.56677300 1.0
S S73 1 0.08349800 0.67089200 0.77629200 1.0
S S74 1 0.08280600 0.04624200 0.10201200 1.0
S S75 1 0.08262300 0.49540200 0.02528400 1.0
S S76 1 0.07989800 0.40078600 0.16907100 1.0
S S77 1 0.08199400 0.79894500 0.06697100 1.0
S S78 1 0.24926200 0.86386200 0.68513600 1.0
S S79 1 0.25073800 0.86386200 0.18513600 1.0
S S80 1 0.24984900 0.54603000 0.39869800 1.0
S S81 1 0.25015100 0.54603000 0.89869800 1.0
S S82 1 0.25317600 0.90056700 0.33076500 1.0
S S83 1 0.24682400 0.90056700 0.83076500 1.0
S S84 1 0.25047600 0.62439900 0.63746600 1.0
S S85 1 0.24952400 0.62439900 0.13746600 1.0
S S86 1 0.24703800 0.17321600 0.72292000 1.0
S S87 1 0.25296200 0.17321600 0.22292000 1.0
S S88 1 0.25098600 0.29852200 0.43246900 1.0
S S89 1 0.24901400 0.29852200 0.93246900 1.0
S S90 1 0.25065500 0.26043500 0.57805300 1.0
S S91 1 0.24934500 0.26043500 0.07805300 1.0
S S92 1 0.24976800 0.99606900 0.47486800 1.0
S S93 1 0.25023200 0.99606900 0.97486800 1.0
S S94 1 0.41737700 0.49540200 0.52528400 1.0
S S95 1 0.41745100 0.49490400 0.02634500 1.0
S S96 1 0.41650700 0.75733100 0.42090800 1.0
S S97 1 0.41615400 0.75973900 0.92162400 1.0
S S98 1 0.41800600 0.79894500 0.56697100 1.0
S S99 1 0.41654800 0.80022500 0.06677300 1.0
S S100 1 0.41650200 0.67089200 0.27629200 1.0
S S101 1 0.42011700 0.67254400 0.77675800 1.0
S S102 1 0.41640100 0.11892000 0.35520500 1.0
S S103 1 0.41649200 0.12440400 0.86322400 1.0
S S104 1 0.42010200 0.40078600 0.66907100 1.0
S S105 1 0.41647600 0.40515300 0.17052900 1.0
S S106 1 0.41719400 0.04624200 0.60201200 1.0
S S107 1 0.41681900 0.04462900 0.10628500 1.0
S S108 1 0.41636800 0.36155600 0.31375300 1.0
S S109 1 0.41778500 0.36375600 0.81501000 1.0
S S110 1 0.58280600 0.54624200 0.39798800 1.0
S S111 1 0.58318100 0.54462900 0.89371500 1.0
S S112 1 0.58350800 0.62440400 0.13677600 1.0
S S113 1 0.58359900 0.61892000 0.64479500 1.0
S S114 1 0.57989800 0.90078600 0.33092900 1.0
S S115 1 0.58349300 0.25733100 0.57909200 1.0
S S116 1 0.58199400 0.29894500 0.43302900 1.0
S S117 1 0.58352400 0.90515300 0.82947100 1.0
S S118 1 0.58262300 0.99540200 0.47471600 1.0
S S119 1 0.58349800 0.17089200 0.72370800 1.0
S S120 1 0.58345200 0.30022500 0.93322700 1.0
S S121 1 0.58384600 0.25973900 0.07837600 1.0
S S122 1 0.57988300 0.17254400 0.22324200 1.0
S S123 1 0.58254900 0.99490400 0.97365500 1.0
S S124 1 0.58221500 0.86375600 0.18499000 1.0
S S125 1 0.58363200 0.86155600 0.68624700 1.0
S S126 1 0.75073800 0.36386200 0.31486400 1.0
S S127 1 0.74926200 0.36386200 0.81486400 1.0
S S128 1 0.75015100 0.04603000 0.60130200 1.0
S S129 1 0.74984900 0.04603000 0.10130200 1.0
S S130 1 0.74682400 0.40056700 0.66923500 1.0
S S131 1 0.75317600 0.40056700 0.16923500 1.0
S S132 1 0.74952400 0.12439900 0.36253400 1.0
S S133 1 0.75047600 0.12439900 0.86253400 1.0
S S134 1 0.75296200 0.67321600 0.27708000 1.0
S S135 1 0.74703800 0.67321600 0.77708000 1.0
S S136 1 0.74901400 0.79852200 0.56753100 1.0
S S137 1 0.75098600 0.79852200 0.06753100 1.0
S S138 1 0.74934500 0.76043500 0.42194700 1.0
S S139 1 0.75065500 0.76043500 0.92194700 1.0
S S140 1 0.75023200 0.49606900 0.52513200 1.0
S S141 1 0.74976800 0.49606900 0.02513200 1.0
S S142 1 0.91745100 0.99490400 0.47365500 1.0
S S143 1 0.91737700 0.99540200 0.97471600 1.0
S S144 1 0.91615400 0.25973900 0.57837600 1.0
S S145 1 0.91650700 0.25733100 0.07909200 1.0
S S146 1 0.91654800 0.30022500 0.43322700 1.0
S S147 1 0.91800600 0.29894500 0.93302900 1.0
S S148 1 0.92011700 0.17254400 0.72324200 1.0
S S149 1 0.91650200 0.17089200 0.22370800 1.0
S S150 1 0.91649200 0.62440400 0.63677600 1.0
S S151 1 0.91640100 0.61892000 0.14479500 1.0
S S152 1 0.91647600 0.90515300 0.32947100 1.0
S S153 1 0.92010200 0.90078600 0.83092900 1.0
S S154 1 0.91681900 0.54462900 0.39371500 1.0
S S155 1 0.91719400 0.54624200 0.89798800 1.0
S S156 1 0.91778500 0.86375600 0.68499000 1.0
S S157 1 0.91636800 0.86155600 0.18624700 1.0
S S158 1 0.08363200 0.36155600 0.81375300 1.0
S S159 1 0.08349300 0.75733100 0.92090800 1.0