Eu2As3
传统材料 TRAMP-ID: mp-1213423 · 空间群: P2/c (#13)
基础信息
化学式
Eu2As3
MP-ID
mp-1213423
元素数
2
位点数
40
密度
6.6668
g/cm³
体积
1,053.48
ų
晶胞参数 a
5.9974
Å
晶胞参数 b
12.3677
Å
晶胞参数 c
18.7260
Å
α 角
49.33
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.94017
eV/atom
能量/原子
-7.85749
eV/atom
凸包距离
0.0018
eV/atom
未修正能量
-7.8575
eV/atom
体积/原子
26.34
ų
c/a 比
3.1223
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
111.5492
μB
磁有序
FM
磁性位点数
16
磁化强度/体积
0.105890
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
As · 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
0.585
家族
Binary Alloy
基质元素
As · 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-1213423
参考引用
The crystal structure and related material properties of Eu2As3 were obtained from the Materials Project database (MP-ID: mp-1213423, 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
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_Eu2As3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99743500
_cell_length_b 12.36771500
_cell_length_c 18.72595561
_cell_angle_alpha 49.32777590
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2As3
_chemical_formula_sum 'Eu16 As24'
_cell_volume 1053.47971344
_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
Eu Eu0 1 0.96581500 0.00000000 0.25000000 1.0
Eu Eu1 1 0.03418500 0.00000000 0.75000000 1.0
Eu Eu2 1 0.75369600 0.62487100 0.00012800 1.0
Eu Eu3 1 0.24630400 0.37512900 0.99987200 1.0
Eu Eu4 1 0.75369600 0.37512900 0.49987200 1.0
Eu Eu5 1 0.24630400 0.62487100 0.50012800 1.0
Eu Eu6 1 0.54459400 0.76050400 0.24929100 1.0
Eu Eu7 1 0.45540600 0.23949600 0.75070900 1.0
Eu Eu8 1 0.54459400 0.23949600 0.25070900 1.0
Eu Eu9 1 0.45540600 0.76050400 0.74929100 1.0
Eu Eu10 1 0.91563900 0.50000000 0.25000000 1.0
Eu Eu11 1 0.08436100 0.50000000 0.75000000 1.0
Eu Eu12 1 0.73993600 0.86605700 0.50851200 1.0
Eu Eu13 1 0.26006400 0.13394300 0.49148800 1.0
Eu Eu14 1 0.73993600 0.13394300 0.99148800 1.0
Eu Eu15 1 0.26006400 0.86605700 0.00851200 1.0
As As16 1 0.95550100 0.84002200 0.67126400 1.0
As As17 1 0.04449900 0.15997800 0.32873600 1.0
As As18 1 0.95550100 0.15997800 0.82873600 1.0
As As19 1 0.04449900 0.84002200 0.17126400 1.0
As As20 1 0.73510900 0.71393900 0.42140800 1.0
As As21 1 0.26489100 0.28606100 0.57859200 1.0
As As22 1 0.73510900 0.28606100 0.07859200 1.0
As As23 1 0.26489100 0.71393900 0.92140800 1.0
As As24 1 0.77276100 0.81123900 0.07797500 1.0
As As25 1 0.22723900 0.18876100 0.92202500 1.0
As As26 1 0.77276100 0.18876100 0.42202500 1.0
As As27 1 0.22723900 0.81123900 0.57797500 1.0
As As28 1 0.45880000 0.92322000 0.34107700 1.0
As As29 1 0.54120000 0.07678000 0.65892300 1.0
As As30 1 0.45880000 0.07678000 0.15892300 1.0
As As31 1 0.54120000 0.92322000 0.84107700 1.0
As As32 1 0.39578600 0.54542400 0.16679900 1.0
As As33 1 0.60421400 0.45457600 0.83320100 1.0
As As34 1 0.39578600 0.45457600 0.33320100 1.0
As As35 1 0.60421400 0.54542400 0.66679900 1.0
As As36 1 0.90422300 0.39165200 0.65646000 1.0
As As37 1 0.09577700 0.60834800 0.34354000 1.0
As As38 1 0.90422300 0.60834800 0.84354000 1.0
As As39 1 0.09577700 0.39165200 0.15646000 1.0