基础信息
化学式
Er2(Ni2B)5
MP-ID
mp-1197355
元素数
3
位点数
136
密度
8.7426
g/cm³
体积
1,482.28
ų
晶胞参数 a
8.9676
Å
晶胞参数 b
9.4345
Å
晶胞参数 c
17.5201
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pbca
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-0.47697
eV/atom
能量/原子
-6.37896
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.3790
eV/atom
体积/原子
10.90
ų
c/a 比
1.9537
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
0.0078
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
Ni · 0.588
元素家族
N/A
溶质分数
0.412
间隙分数
0.294
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.721
家族
Ni-based Alloy
基质元素
Ni · 0.588
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-1197355
参考引用
The crystal structure and related material properties of Er2(Ni2B)5 were obtained from the Materials Project database (MP-ID: mp-1197355, 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_Er2(Ni2B)5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.96762788
_cell_length_b 9.43446842
_cell_length_c 17.52007162
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2(Ni2B)5
_chemical_formula_sum 'Er16 Ni80 B40'
_cell_volume 1482.28219107
_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
Er Er0 1 0.12401997 0.85901305 0.27792870 1.0
Er Er1 1 0.37598003 0.14098695 0.77792870 1.0
Er Er2 1 0.62401997 0.64098695 0.72207130 1.0
Er Er3 1 0.87598003 0.35901305 0.22207130 1.0
Er Er4 1 0.87598003 0.14098695 0.72207130 1.0
Er Er5 1 0.62401997 0.85901305 0.22207130 1.0
Er Er6 1 0.37598003 0.35901305 0.27792870 1.0
Er Er7 1 0.12401997 0.64098695 0.77792870 1.0
Er Er8 1 0.21987144 0.88723410 0.48011467 1.0
Er Er9 1 0.28012856 0.11276590 0.98011467 1.0
Er Er10 1 0.71987144 0.61276590 0.51988533 1.0
Er Er11 1 0.78012856 0.38723410 0.01988533 1.0
Er Er12 1 0.78012856 0.11276590 0.51988533 1.0
Er Er13 1 0.71987144 0.88723410 0.01988533 1.0
Er Er14 1 0.28012856 0.38723410 0.48011467 1.0
Er Er15 1 0.21987144 0.61276590 0.98011467 1.0
Ni Ni16 1 0.12143104 0.96200557 0.72692949 1.0
Ni Ni17 1 0.37856896 0.03799443 0.22692949 1.0
Ni Ni18 1 0.62143104 0.53799443 0.27307051 1.0
Ni Ni19 1 0.87856896 0.46200557 0.77307051 1.0
Ni Ni20 1 0.87856896 0.03799443 0.27307051 1.0
Ni Ni21 1 0.62143104 0.96200557 0.77307051 1.0
Ni Ni22 1 0.37856896 0.46200557 0.72692949 1.0
Ni Ni23 1 0.12143104 0.53799443 0.22692949 1.0
Ni Ni24 1 0.12632730 0.17625088 0.23692189 1.0
Ni Ni25 1 0.37367270 0.82374912 0.73692189 1.0
Ni Ni26 1 0.62632730 0.32374912 0.76307811 1.0
Ni Ni27 1 0.87367270 0.67625088 0.26307811 1.0
Ni Ni28 1 0.87367270 0.82374912 0.76307811 1.0
Ni Ni29 1 0.62632730 0.17625088 0.26307811 1.0
Ni Ni30 1 0.37367270 0.67625088 0.23692189 1.0
Ni Ni31 1 0.12632730 0.32374912 0.73692189 1.0
Ni Ni32 1 0.07826945 0.88658999 0.01581489 1.0
Ni Ni33 1 0.42173055 0.11341001 0.51581489 1.0
Ni Ni34 1 0.57826945 0.61341001 0.98418511 1.0
Ni Ni35 1 0.92173055 0.38658999 0.48418511 1.0
Ni Ni36 1 0.92173055 0.11341001 0.98418511 1.0
Ni Ni37 1 0.57826945 0.88658999 0.48418511 1.0
Ni Ni38 1 0.42173055 0.38658999 0.01581489 1.0
Ni Ni39 1 0.07826945 0.61341001 0.51581489 1.0
Ni Ni40 1 0.16202793 0.78165215 0.62717310 1.0
Ni Ni41 1 0.33797207 0.21834785 0.12717310 1.0
Ni Ni42 1 0.66202793 0.71834785 0.37282690 1.0
Ni Ni43 1 0.83797207 0.28165215 0.87282690 1.0
Ni Ni44 1 0.83797207 0.21834785 0.37282690 1.0
Ni Ni45 1 0.66202793 0.78165215 0.87282690 1.0
Ni Ni46 1 0.33797207 0.28165215 0.62717310 1.0
Ni Ni47 1 0.16202793 0.71834785 0.12717310 1.0
Ni Ni48 1 0.17698661 0.99392022 0.13037887 1.0
Ni Ni49 1 0.32301339 0.00607978 0.63037887 1.0
Ni Ni50 1 0.67698661 0.50607978 0.86962113 1.0
Ni Ni51 1 0.82301339 0.49392022 0.36962113 1.0
Ni Ni52 1 0.82301339 0.00607978 0.86962113 1.0
Ni Ni53 1 0.67698661 0.99392022 0.36962113 1.0
Ni Ni54 1 0.32301339 0.49392022 0.13037887 1.0
Ni Ni55 1 0.17698661 0.50607978 0.63037887 1.0
Ni Ni56 1 0.23133316 0.89330035 0.86496666 1.0
Ni Ni57 1 0.26866684 0.10669965 0.36496666 1.0
Ni Ni58 1 0.73133316 0.60669965 0.13503334 1.0
Ni Ni59 1 0.76866684 0.39330035 0.63503334 1.0
Ni Ni60 1 0.76866684 0.10669965 0.13503334 1.0
Ni Ni61 1 0.73133316 0.89330035 0.63503334 1.0
Ni Ni62 1 0.26866684 0.39330035 0.86496666 1.0
Ni Ni63 1 0.23133316 0.60669965 0.36496666 1.0
Ni Ni64 1 0.09060935 0.14696165 0.84997925 1.0
Ni Ni65 1 0.40939065 0.85303835 0.34997925 1.0
Ni Ni66 1 0.59060935 0.35303835 0.15002075 1.0
Ni Ni67 1 0.90939065 0.64696165 0.65002075 1.0
Ni Ni68 1 0.90939065 0.85303835 0.15002075 1.0
Ni Ni69 1 0.59060935 0.14696165 0.65002075 1.0
Ni Ni70 1 0.40939065 0.64696165 0.84997925 1.0
Ni Ni71 1 0.09060935 0.35303835 0.34997925 1.0
Ni Ni72 1 0.04260235 0.02209131 0.59622353 1.0
Ni Ni73 1 0.45739765 0.97790869 0.09622353 1.0
Ni Ni74 1 0.54260235 0.47790869 0.40377647 1.0
Ni Ni75 1 0.95739765 0.52209131 0.90377647 1.0
Ni Ni76 1 0.95739765 0.97790869 0.40377647 1.0
Ni Ni77 1 0.54260235 0.02209131 0.90377647 1.0
Ni Ni78 1 0.45739765 0.52209131 0.59622353 1.0
Ni Ni79 1 0.04260235 0.47790869 0.09622353 1.0
Ni Ni80 1 0.04361548 0.21872206 0.09840394 1.0
Ni Ni81 1 0.45638452 0.78127794 0.59840394 1.0
Ni Ni82 1 0.54361548 0.28127794 0.90159606 1.0
Ni Ni83 1 0.95638452 0.71872206 0.40159606 1.0
Ni Ni84 1 0.95638452 0.78127794 0.90159606 1.0
Ni Ni85 1 0.54361548 0.21872206 0.40159606 1.0
Ni Ni86 1 0.45638452 0.71872206 0.09840394 1.0
Ni Ni87 1 0.04361548 0.28127794 0.59840394 1.0
Ni Ni88 1 0.08060411 0.16616537 0.46844249 1.0
Ni Ni89 1 0.41939589 0.83383463 0.96844249 1.0
Ni Ni90 1 0.58060411 0.33383463 0.53155751 1.0
Ni Ni91 1 0.91939589 0.66616537 0.03155751 1.0
Ni Ni92 1 0.91939589 0.83383463 0.53155751 1.0
Ni Ni93 1 0.58060411 0.16616537 0.03155751 1.0
Ni Ni94 1 0.41939589 0.66616537 0.46844249 1.0
Ni Ni95 1 0.08060411 0.33383463 0.96844249 1.0
B B96 1 0.97610487 0.06402497 0.17665099 1.0
B B97 1 0.52389513 0.93597503 0.67665099 1.0
B B98 1 0.47610487 0.43597503 0.82334901 1.0
B B99 1 0.02389513 0.56402497 0.32334901 1.0
B B100 1 0.02389513 0.93597503 0.82334901 1.0
B B101 1 0.47610487 0.06402497 0.32334901 1.0
B B102 1 0.52389513 0.56402497 0.17665099 1.0
B B103 1 0.97610487 0.43597503 0.67665099 1.0
B B104 1 0.16628188 0.14778042 0.66735005 1.0
B B105 1 0.33371812 0.85221958 0.16735005 1.0
B B106 1 0.66628188 0.35221958 0.33264995 1.0
B B107 1 0.83371812 0.64778042 0.83264995 1.0
B B108 1 0.83371812 0.85221958 0.33264995 1.0
B B109 1 0.66628188 0.14778042 0.83264995 1.0
B B110 1 0.33371812 0.64778042 0.66735005 1.0
B B111 1 0.16628188 0.35221958 0.16735005 1.0
B B112 1 0.04810297 0.14125926 0.34487840 1.0
B B113 1 0.45189703 0.85874074 0.84487840 1.0
B B114 1 0.54810297 0.35874074 0.65512160 1.0
B B115 1 0.95189703 0.64125926 0.15512160 1.0
B B116 1 0.95189703 0.85874074 0.65512160 1.0
B B117 1 0.54810297 0.14125926 0.15512160 1.0
B B118 1 0.45189703 0.64125926 0.34487840 1.0
B B119 1 0.04810297 0.35874074 0.84487840 1.0
B B120 1 0.21217109 0.14820251 0.56174498 1.0
B B121 1 0.28782891 0.85179749 0.06174498 1.0
B B122 1 0.71217109 0.35179749 0.43825502 1.0
B B123 1 0.78782891 0.64820251 0.93825502 1.0
B B124 1 0.78782891 0.85179749 0.43825502 1.0
B B125 1 0.71217109 0.14820251 0.93825502 1.0
B B126 1 0.28782891 0.64820251 0.56174498 1.0
B B127 1 0.21217109 0.35179749 0.06174498 1.0
B B128 1 0.03831175 0.98093181 0.91787628 1.0
B B129 1 0.46168825 0.01906819 0.41787628 1.0
B B130 1 0.53831175 0.51906819 0.08212372 1.0
B B131 1 0.96168825 0.48093181 0.58212372 1.0
B B132 1 0.96168825 0.01906819 0.08212372 1.0
B B133 1 0.53831175 0.98093181 0.58212372 1.0
B B134 1 0.46168825 0.48093181 0.91787628 1.0
B B135 1 0.03831175 0.51906819 0.41787628 1.0