Tb3Rh2
传统材料 TRAMP-ID: mp-1202922 · 空间群: I4/mcm (#140)
基础信息
化学式
Tb3Rh2
MP-ID
mp-1202922
元素数
2
位点数
70
密度
10.2608
g/cm³
体积
1,546.51
ų
晶胞参数 a
11.1296
Å
晶胞参数 b
11.1296
Å
晶胞参数 c
14.7586
Å
α 角
112.15
°
β 角
112.15
°
γ 角
90.00
°
空间群
I4/mcm
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.74365
eV/atom
能量/原子
-6.47209
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.4721
eV/atom
体积/原子
22.09
ų
c/a 比
1.3261
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
0.0001
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.000000
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
Tb · 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
A
评分
0.667
家族
Binary Alloy
基质元素
Tb · 0.600
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1202922
参考引用
The crystal structure and related material properties of Tb3Rh2 were obtained from the Materials Project database (MP-ID: mp-1202922, 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_Tb3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.12959446
_cell_length_b 11.12955184
_cell_length_c 14.75859258
_cell_angle_alpha 112.15186650
_cell_angle_beta 112.15195582
_cell_angle_gamma 89.99855391
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb3Rh2
_chemical_formula_sum 'Tb42 Rh28'
_cell_volume 1546.51203673
_cell_formula_units_Z 14
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
Tb Tb0 1 0.50397103 0.63234885 0.85698831 1.0
Tb Tb1 1 0.35301827 0.22464046 0.85698831 1.0
Tb Tb2 1 0.85303156 0.13236227 0.85700149 1.0
Tb Tb3 1 0.00397093 0.72463922 0.85700149 1.0
Tb Tb4 1 0.63236216 0.35303139 0.85700141 1.0
Tb Tb5 1 0.22463925 0.50397102 0.85700141 1.0
Tb Tb6 1 0.13234883 0.00397100 0.85698831 1.0
Tb Tb7 1 0.72464048 0.85301831 0.85698831 1.0
Tb Tb8 1 0.49602897 0.36765115 0.14301169 1.0
Tb Tb9 1 0.64698173 0.77535954 0.14301169 1.0
Tb Tb10 1 0.14696844 0.86763773 0.14299851 1.0
Tb Tb11 1 0.99602907 0.27536078 0.14299851 1.0
Tb Tb12 1 0.36763784 0.64696861 0.14299859 1.0
Tb Tb13 1 0.77536075 0.49602898 0.14299859 1.0
Tb Tb14 1 0.86765117 0.99602900 0.14301169 1.0
Tb Tb15 1 0.27535952 0.14698169 0.14301169 1.0
Tb Tb16 1 0.51650841 0.38680780 0.61308067 1.0
Tb Tb17 1 0.09657327 0.22627288 0.61308067 1.0
Tb Tb18 1 0.59656159 0.88679452 0.61307242 1.0
Tb Tb19 1 0.01651283 0.72627890 0.61307242 1.0
Tb Tb20 1 0.38679465 0.09656167 0.61307243 1.0
Tb Tb21 1 0.22627879 0.51651277 0.61307243 1.0
Tb Tb22 1 0.88680785 0.01650834 0.61308070 1.0
Tb Tb23 1 0.72627285 0.59657336 0.61308070 1.0
Tb Tb24 1 0.48349159 0.61319220 0.38691933 1.0
Tb Tb25 1 0.90342673 0.77372712 0.38691933 1.0
Tb Tb26 1 0.40343841 0.11320548 0.38692758 1.0
Tb Tb27 1 0.98348717 0.27372110 0.38692758 1.0
Tb Tb28 1 0.61320535 0.90343833 0.38692757 1.0
Tb Tb29 1 0.77372121 0.48348723 0.38692757 1.0
Tb Tb30 1 0.11319215 0.98349166 0.38691930 1.0
Tb Tb31 1 0.27372715 0.40342664 0.38691930 1.0
Tb Tb32 1 0.35157557 0.85157573 0.00000000 1.0
Tb Tb33 1 0.64842443 0.14842427 -0.00000000 1.0
Tb Tb34 1 0.14841250 0.35158770 0.00000000 1.0
Tb Tb35 1 0.85158750 0.64841230 -0.00000000 1.0
Tb Tb36 1 0.88725078 0.38725078 0.77450155 1.0
Tb Tb37 1 0.38725377 0.88725377 0.77450553 1.0
Tb Tb38 1 0.11274922 0.61274922 0.22549845 1.0
Tb Tb39 1 0.61274623 0.11274623 0.22549447 1.0
Tb Tb40 1 0.75000291 0.25000291 0.50000582 1.0
Tb Tb41 1 0.24999709 0.74999709 0.49999418 1.0
Rh Rh42 1 0.21495361 0.71495350 0.78713035 1.0
Rh Rh43 1 0.57217673 0.07217685 0.78713035 1.0
Rh Rh44 1 0.07221881 0.21494519 0.78716301 1.0
Rh Rh45 1 0.71494521 0.57221882 0.78716301 1.0
Rh Rh46 1 0.78504639 0.28504650 0.21286965 1.0
Rh Rh47 1 0.42782327 0.92782315 0.21286965 1.0
Rh Rh48 1 0.92778119 0.78505481 0.21283699 1.0
Rh Rh49 1 0.28505479 0.42778118 0.21283699 1.0
Rh Rh50 1 0.96461022 0.46461021 0.62370138 1.0
Rh Rh51 1 0.65909116 0.15909117 0.62370138 1.0
Rh Rh52 1 0.15905663 0.96467431 0.62373106 1.0
Rh Rh53 1 0.46467443 0.65905675 0.62373106 1.0
Rh Rh54 1 0.03538978 0.53538979 0.37629862 1.0
Rh Rh55 1 0.34090884 0.84090883 0.37629862 1.0
Rh Rh56 1 0.84094337 0.03532569 0.37626894 1.0
Rh Rh57 1 0.53532557 0.34094325 0.37626894 1.0
Rh Rh58 1 0.09860837 0.59860838 0.00000000 1.0
Rh Rh59 1 0.90139163 0.40139162 -0.00000000 1.0
Rh Rh60 1 0.40143746 0.09856264 -0.00000000 1.0
Rh Rh61 1 0.59856254 0.90143736 0.00000000 1.0
Rh Rh62 1 0.36761110 0.36761110 0.73522020 1.0
Rh Rh63 1 0.86761111 0.86761111 0.73522021 1.0
Rh Rh64 1 0.63238890 0.63238890 0.26477980 1.0
Rh Rh65 1 0.13238889 0.13238889 0.26477979 1.0
Rh Rh66 1 0.50000000 0.50000000 -0.00000000 1.0
Rh Rh67 1 -0.00000000 -0.00000000 -0.00000000 1.0
Rh Rh68 1 0.25000000 0.25000000 0.50000000 1.0
Rh Rh69 1 0.75000000 0.75000000 0.50000000 1.0