RbEuB12

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295699 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

RbEuB12

MP-ID

mp-3295699

Elements

Sites

Density

4.0970

g/cm³

Volume

148.81

Å³

Cell a

4.2038

Cell b

4.2038

Cell c

8.4210

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
10.51	8.4210	19.4	(0,0,1)
21.10	4.2105	27.3	(0,0,2)
21.13	4.2038	54.4	(1,0,0)
23.66	3.7612	11.3	(1,0,1)
30.04	2.9749	100.0	(1,0,2)
30.06	2.9725	49.9	(1,1,0)
31.88	2.8070	1.3	(0,0,3)
31.93	2.8030	5.7	(1,1,1)
37.02	2.4284	63.6	(1,1,2)
38.57	2.3344	3.6	(1,0,3)
42.96	2.1052	10.9	(0,0,4)
43.03	2.1019	21.7	(2,0,0)
44.39	2.0409	2.6	(1,1,3)
44.42	2.0393	2.4	(2,0,1)
48.35	1.8824	24.2	(1,0,4)
48.40	1.8806	24.1	(2,0,2)
48.42	1.8800	24.1	(2,1,0)
49.69	1.8348	3.5	(2,1,1)
53.32	1.7180	12.4	(1,1,4)
53.37	1.7167	24.7	(2,1,2)
54.54	1.6825	1.4	(2,0,3)
59.15	1.5620	1.8	(2,1,3)
62.43	1.4875	9.4	(2,0,4)
62.49	1.4863	4.7	(2,2,0)

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Energy Properties

Formation Energy/atom

-0.30706

eV/atom

Energy/atom

-10.35049

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.3505

eV/atom

Volume/atom

10.63

Å³

c/a Ratio

2.0032

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.4635

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.043430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.857

Element Family

Metalloid-Nonmetal

Solute Fraction

0.143

Interstitial Fraction

0.857

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.5091

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

4.2330

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.172%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3675

smaller = more stable mixing

VEC

3.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4634

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnhr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295699

Reference Citation

The crystal structure and related material properties of RbEuB12 were obtained from the Materials Project database (MP-ID: mp-3295699, database version v2026.04.13).

Literature Citation

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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_RbEuB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20379627
_cell_length_b   4.20379627
_cell_length_c   8.42096537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbEuB12
_chemical_formula_sum   'Rb1 Eu1 B12'
_cell_volume   148.81448390
_cell_formula_units_Z   1
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
  Rb  Rb0  1  0.00000000  0.00000000  0.00000000  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.50000000  1.0
  B  B2  1  0.20172094  0.50000000  0.25478475  1.0
  B  B3  1  0.20172094  0.50000000  0.74521525  1.0
  B  B4  1  0.50000000  0.50000000  0.40187244  1.0
  B  B5  1  0.50000000  0.50000000  0.89621463  1.0
  B  B6  1  0.50000000  0.20172094  0.25478475  1.0
  B  B7  1  0.50000000  0.20172094  0.74521525  1.0
  B  B8  1  0.50000000  0.50000000  0.10378537  1.0
  B  B9  1  0.50000000  0.50000000  0.59812756  1.0
  B  B10  1  0.50000000  0.79827906  0.25478475  1.0
  B  B11  1  0.50000000  0.79827906  0.74521525  1.0
  B  B12  1  0.79827906  0.50000000  0.25478475  1.0
  B  B13  1  0.79827906  0.50000000  0.74521525  1.0

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