Yb2Ga10Ru3

高熵材料 HEA 传统材料 TRA

MP-ID: mp-644533 · Space group: P4/mbm (#127)

Materials Project API

Basic Information

Formula

Yb2Ga10Ru3

MP-ID

mp-644533

Elements

Sites

Density

9.1729

g/cm³

Volume

487.51

Å³

Cell a

8.7864

Cell b

8.7864

Cell c

6.3149

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mbm

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
14.02	6.3149	1.0	(0,0,1)
20.05	4.4288	5.9	(1,1,1)
20.21	4.3932	9.4	(2,0,0)
22.63	3.9294	39.0	(2,1,0)
26.72	3.3362	13.5	(2,1,1)
28.74	3.1065	2.6	(2,2,0)
32.11	2.7874	16.4	(2,2,1)
35.00	2.5640	28.0	(2,0,2)
35.29	2.5432	21.9	(3,1,1)
36.51	2.4613	99.7	(2,1,2)
36.89	2.4369	5.4	(3,2,0)
39.64	2.2735	4.3	(3,2,1)
40.75	2.2144	39.0	(2,2,2)
41.09	2.1966	7.2	(4,0,0)
42.42	2.1310	100.0	(4,1,0)
42.97	2.1050	17.9	(0,0,3)
43.38	2.0859	88.7	(3,1,2)
43.71	2.0710	31.8	(3,3,0)
45.50	1.9937	1.1	(1,1,3)
46.21	1.9647	15.9	(4,2,0)
47.11	1.9292	24.0	(3,2,2)
50.62	1.8032	4.7	(4,0,2)
51.75	1.7664	4.2	(4,1,2)
52.87	1.7317	1.0	(3,3,2)

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Energy Properties

Formation Energy/atom

-0.58484

eV/atom

Energy/atom

-18.16885

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.1689

eV/atom

Volume/atom

16.25

Å³

c/a Ratio

0.7187

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.1571

J/mol·K

Ω Parameter

5.8151

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.763%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3120

smaller = more stable mixing

VEC

5.467

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.070

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7836

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaachsah aaadvrmo aaaeqfel aaafbcpm aaahbaxe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-644533

Reference Citation

The crystal structure and related material properties of Yb2Ga10Ru3 were obtained from the Materials Project database (MP-ID: mp-644533, 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_Yb2Ga10Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78635823
_cell_length_b   8.78635823
_cell_length_c   6.31493501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Ga10Ru3
_chemical_formula_sum   'Yb4 Ga20 Ru6'
_cell_volume   487.51355718
_cell_formula_units_Z   2
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
  Yb  Yb0  1  0.18308895  0.68308895  0.00000000  1.0
  Yb  Yb1  1  0.81691105  0.31691105  0.00000000  1.0
  Yb  Yb2  1  0.68308895  0.81691105  0.00000000  1.0
  Yb  Yb3  1  0.31691105  0.18308895  0.00000000  1.0
  Ga  Ga4  1  0.06086713  0.20702616  0.70732722  1.0
  Ga  Ga5  1  0.93913287  0.79297384  0.70732722  1.0
  Ga  Ga6  1  0.56086713  0.29297384  0.70732722  1.0
  Ga  Ga7  1  0.43913287  0.70702616  0.70732722  1.0
  Ga  Ga8  1  0.79297384  0.06086713  0.70732722  1.0
  Ga  Ga9  1  0.20702616  0.93913287  0.70732722  1.0
  Ga  Ga10  1  0.70702616  0.56086713  0.70732722  1.0
  Ga  Ga11  1  0.29297384  0.43913287  0.70732722  1.0
  Ga  Ga12  1  0.93913287  0.79297384  0.29267278  1.0
  Ga  Ga13  1  0.06086713  0.20702616  0.29267278  1.0
  Ga  Ga14  1  0.43913287  0.70702616  0.29267278  1.0
  Ga  Ga15  1  0.56086713  0.29297384  0.29267278  1.0
  Ga  Ga16  1  0.20702616  0.93913287  0.29267278  1.0
  Ga  Ga17  1  0.79297384  0.06086713  0.29267278  1.0
  Ga  Ga18  1  0.29297384  0.43913287  0.29267278  1.0
  Ga  Ga19  1  0.70702616  0.56086713  0.29267278  1.0
  Ga  Ga20  1  0.00000000  0.50000000  0.71630216  1.0
  Ga  Ga21  1  0.50000000  0.00000000  0.71630216  1.0
  Ga  Ga22  1  0.00000000  0.50000000  0.28369784  1.0
  Ga  Ga23  1  0.50000000  0.00000000  0.28369784  1.0
  Ru  Ru24  1  0.17841122  0.67841122  0.50000000  1.0
  Ru  Ru25  1  0.82158878  0.32158878  0.50000000  1.0
  Ru  Ru26  1  0.67841122  0.82158878  0.50000000  1.0
  Ru  Ru27  1  0.32158878  0.17841122  0.50000000  1.0
  Ru  Ru28  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru29  1  0.50000000  0.50000000  0.00000000  1.0

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