Rb2EuGa(SiO3)4

高熵材料 HEA

MP-ID: mp-684467 · 空间群: P-1 (#2)

Materials Project API

基础信息

化学式

Rb2EuGa(SiO3)4

MP-ID

mp-684467

元素数

位点数

密度

3.5739

g/cm³

体积

1,295.31

Å³

晶胞参数 a

7.4514

晶胞参数 b

14.2412

晶胞参数 c

14.2322

α 角

64.33

β 角

74.89

γ 角

74.94

空间群

P-1

点群

-1

晶体系统

Triclinic

Bravais 格子

稳定性

Yes

堆积分数

X 射线衍射

衍射图谱

靶材 / 辐射源

横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å

衍射峰（Top 24）

2θ	d (Å)	I	hkl
7.71	11.4682	100.0	(0,1,1)
11.68	7.5790	40.5	(0,1,-1)
12.48	7.0906	4.0	(1,0,0)
12.50	7.0829	4.0	(1,1,1)
13.24	6.6889	14.6	(1,0,1)
13.24	6.6853	14.8	(1,1,0)
14.00	6.3258	5.4	(0,2,0)
14.01	6.3202	17.4	(0,0,2)
15.33	5.7787	9.4	(1,0,-1)
15.35	5.7727	9.1	(1,1,2)
15.45	5.7341	13.4	(0,2,2)
19.40	4.5749	22.5	(0,3,1)
19.42	4.5707	28.0	(0,1,3)
20.33	4.3683	3.5	(1,-2,0)
20.36	4.3609	3.5	(1,3,1)
20.37	4.3601	1.1	(1,1,3)
21.25	4.1806	1.0	(1,2,-1)
22.61	3.9323	4.3	(1,-2,1)
22.64	3.9281	14.2	(1,1,-2)
22.64	3.9276	14.4	(1,0,3)
22.64	3.9274	4.3	(1,3,0)
23.27	3.8227	6.4	(0,3,3)
23.88	3.7257	20.4	(2,1,1)
24.74	3.5992	29.5	(0,3,-1)

获取直接链接

能量属性

形成能/原子

-3.02666

eV/atom

能量/原子

-7.84436

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-7.4322

eV/atom

体积/原子

16.19

Å³

c/a 比

1.9100

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

Yes

总磁矩

24.0000

μB

磁有序

磁性位点数

磁化强度/体积

0.018530

μB/Å³

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

O · 0.600

元素家族

Metalloid-Nonmetal

溶质分数

0.400

间隙分数

0.200

综合指标雷达（归一化）

元素类别占比

混合熵 ΔS/R

1.1582

高熵判据（>1.0 视为高熵）

混合熵 ΔS

9.6294

J/mol·K

Ω 参数

8.4132

Ω > 1.1 利于固溶体形成

原子尺寸错配 δr

57.746%

δr < 6.6% 利于单相固溶

电负性差 Δχ

0.9806

越小混合越稳定

VEC

3.800

价电子浓度，影响相稳定性

混合焓 ΔH_mix

-0.540

kJ/mol 且负值为放热混合

熵归一化

0.7196

固溶体倾向

相趋势

关联任务

关联的计算任务 ID（1 个）

aaabmynr

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-684467

参考引用

The crystal structure and related material properties of Rb2EuGa(SiO3)4 were obtained from the Materials Project database (MP-ID: mp-684467, 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_Rb2EuGa(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45135737
_cell_length_b   14.24116351
_cell_length_c   14.23219174
_cell_angle_alpha   64.33002185
_cell_angle_beta   74.89170939
_cell_angle_gamma   74.94480647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2EuGa(SiO3)4
_chemical_formula_sum   'Rb8 Eu4 Ga4 Si16 O48'
_cell_volume   1295.30882263
_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
  Eu  Eu0  1  0.55130308  0.21417907  0.75009828  1.0
  Eu  Eu1  1  0.98588879  0.71241720  0.24935937  1.0
  Eu  Eu2  1  0.44719178  0.78602994  0.25042872  1.0
  Eu  Eu3  1  0.01481188  0.28703726  0.74944354  1.0
  Rb  Rb4  1  0.80861856  0.41609041  0.46684429  1.0
  Rb  Rb5  1  0.80622286  0.91792755  0.96735140  1.0
  Rb  Rb6  1  0.72560785  0.11526391  0.45197180  1.0
  Rb  Rb7  1  0.19675177  0.08280097  0.03470661  1.0
  Rb  Rb8  1  0.18812913  0.58260664  0.53496533  1.0
  Rb  Rb9  1  0.19837912  0.61745353  0.95552233  1.0
  Rb  Rb10  1  0.27025218  0.88334933  0.54460187  1.0
  Rb  Rb11  1  0.80034356  0.38233744  0.04478911  1.0
  Ga  Ga12  1  0.87384068  0.58763187  0.77253428  1.0
  Ga  Ga13  1  0.73273504  0.91275862  0.72773163  1.0
  Ga  Ga14  1  0.26744908  0.08692546  0.27235154  1.0
  Ga  Ga15  1  0.12592030  0.41188251  0.22797756  1.0
  Si  Si16  1  0.67039589  0.70027254  0.92242746  1.0
  Si  Si17  1  0.20760199  0.20054344  0.42239815  1.0
  Si  Si18  1  0.64037253  0.67435266  0.49238031  1.0
  Si  Si19  1  0.69369026  0.17255323  0.99372773  1.0
  Si  Si20  1  0.36006000  0.52830300  0.29439836  1.0
  Si  Si21  1  0.31733424  0.02895672  0.79448061  1.0
  Si  Si22  1  0.68218718  0.97096338  0.20587485  1.0
  Si  Si23  1  0.35881527  0.32727310  0.50568543  1.0
  Si  Si24  1  0.33131262  0.29937423  0.07677261  1.0
  Si  Si25  1  0.79372893  0.79922879  0.57697910  1.0
  Si  Si26  1  0.26040784  0.42546075  0.83873451  1.0
  Si  Si27  1  0.63940073  0.47269539  0.70477666  1.0
  Si  Si28  1  0.02440435  0.07596430  0.66124035  1.0
  Si  Si29  1  0.73786644  0.57385387  0.16139941  1.0
  Si  Si30  1  0.97439911  0.92432328  0.33874811  1.0
  Si  Si31  1  0.30795675  0.82670076  0.00511475  1.0
  O  O32  1  0.52889337  0.27161586  0.57400081  1.0
  O  O33  1  0.94093993  0.97694511  0.67003475  1.0
  O  O34  1  0.73575766  0.64455435  0.22506213  1.0
  O  O35  1  0.24205757  0.35481256  0.96755705  1.0
  O  O36  1  0.64085108  0.75020973  0.55439111  1.0
  O  O37  1  0.29827971  0.64457098  0.29837468  1.0
  O  O38  1  0.67154440  0.88762244  0.62391236  1.0
  O  O39  1  0.93685899  0.85413573  0.46762866  1.0
  O  O40  1  0.05719908  0.02405650  0.32964428  1.0
  O  O41  1  0.41684849  0.44045063  0.40921654  1.0
  O  O42  1  0.45666560  0.47687883  0.79819285  1.0
  O  O43  1  0.06885213  0.29269285  0.34445602  1.0
  O  O44  1  0.45034933  0.99061492  0.22897811  1.0
  O  O45  1  0.57850721  0.14762622  0.92709431  1.0
  O  O46  1  0.25951383  0.14458755  0.79972841  1.0
  O  O47  1  0.33110456  0.11243651  0.37512880  1.0
  O  O48  1  0.23500974  0.94044017  0.90917034  1.0
  O  O49  1  0.89299029  0.14773684  0.72393965  1.0
  O  O50  1  0.36086489  0.25175912  0.44242416  1.0
  O  O51  1  0.68157303  0.61141161  0.87631293  1.0
  O  O52  1  0.76440443  0.97422032  0.30114952  1.0
  O  O53  1  0.79448048  0.79253969  0.84327788  1.0
  O  O54  1  0.75637448  0.64474345  0.03260111  1.0
  O  O55  1  0.06637270  0.14516321  0.53227891  1.0
  O  O56  1  0.08815730  0.52499973  0.83131893  1.0
  O  O57  1  0.21039112  0.20584790  0.15550881  1.0
  O  O58  1  0.58555856  0.56115924  0.58953626  1.0
  O  O59  1  0.87776909  0.22675105  0.92665617  1.0
  O  O60  1  0.82745319  0.49023409  0.73105099  1.0
  O  O61  1  0.31694877  0.38720014  0.12456986  1.0
  O  O62  1  0.93242461  0.70603097  0.65442320  1.0
  O  O63  1  0.23172804  0.02513914  0.70115086  1.0
  O  O64  1  0.10518096  0.85373349  0.27476944  1.0
  O  O65  1  0.70297087  0.35692914  0.69938481  1.0
  O  O66  1  0.76594624  0.05970312  0.09146308  1.0
  O  O67  1  0.17196009  0.50807997  0.27103813  1.0
  O  O68  1  0.46734890  0.72888813  0.42635639  1.0
  O  O69  1  0.54857733  0.00940457  0.76900641  1.0
  O  O70  1  0.42126386  0.85090762  0.07293848  1.0
  O  O71  1  0.91063657  0.47462816  0.17031609  1.0
  O  O72  1  0.15152684  0.35123834  0.57128214  1.0
  O  O73  1  0.54082269  0.52359461  0.20033290  1.0
  O  O74  1  0.44698208  0.75136099  0.94282123  1.0
  O  O75  1  0.12666849  0.76908958  0.07177085  1.0
  O  O76  1  0.84639385  0.65092181  0.42516180  1.0
  O  O77  1  0.55574576  0.25098454  0.05305856  1.0
  O  O78  1  0.26129637  0.35476215  0.77516920  1.0
  O  O79  1  0.74166263  0.85534519  0.20034997  1.0

获取直接链接