ErTmGa10Ru3

High-Entropy Materials HEA

MP-ID: mp-3292785 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

ErTmGa10Ru3

MP-ID

mp-3292785

Elements

Sites

Density

9.0484

g/cm³

Volume

490.59

Å³

Cell a

8.7830

Cell b

8.7830

Cell c

6.3596

α Angle

90.00

β Angle

90.00

γ Angle

89.95

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

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
13.93	6.3596	1.1	(0,0,1)
19.98	4.4443	6.7	(1,1,1)
19.99	4.4423	6.0	(1,-1,1)
20.22	4.3915	17.3	(2,0,0)
22.63	3.9293	38.3	(2,1,0)
22.65	3.9265	37.6	(2,-1,0)
26.67	3.3427	12.8	(2,1,1)
26.68	3.3410	12.7	(2,-1,1)
28.74	3.1067	2.5	(2,2,0)
28.76	3.1039	2.6	(2,-2,0)
32.06	2.7914	15.9	(2,2,1)
32.09	2.7894	16.1	(2,-2,1)
34.83	2.5755	55.0	(2,0,2)
35.25	2.5459	22.0	(3,1,1)
35.27	2.5447	22.6	(3,-1,1)
36.35	2.4718	100.0	(2,1,2)
36.36	2.4711	99.1	(2,-1,2)
36.88	2.4370	5.5	(3,2,0)
36.92	2.4350	5.7	(3,-2,0)
39.60	2.2756	4.5	(3,2,1)
39.63	2.2740	4.1	(3,-2,1)
40.60	2.2222	38.6	(2,2,2)
40.62	2.2211	39.1	(2,-2,2)
41.11	2.1958	14.2	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.58661

eV/atom

Energy/atom

-17.90314

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.9031

eV/atom

Volume/atom

16.35

Å³

c/a Ratio

0.7241

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.667

Element Family

PostTransition-Noble

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9533

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9255

J/mol·K

Ω Parameter

7.1433

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.763%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2701

smaller = more stable mixing

VEC

5.267

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.070

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6876

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfizp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292785

Reference Citation

The crystal structure and related material properties of ErTmGa10Ru3 were obtained from the Materials Project database (MP-ID: mp-3292785, 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_ErTmGa10Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78301001
_cell_length_b   8.78301001
_cell_length_c   6.35963065
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.94800459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTmGa10Ru3
_chemical_formula_sum   'Er2 Tm2 Ga20 Ru6'
_cell_volume   490.58975059
_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
  Er  Er0  1  0.81722651  0.68277349  0.00000000  1.0
  Er  Er1  1  0.18277349  0.31722651  0.00000000  1.0
  Tm  Tm2  1  0.68292525  0.18292525  0.00000000  1.0
  Tm  Tm3  1  0.31707475  0.81707475  0.00000000  1.0
  Ga  Ga4  1  0.93886445  0.20667575  0.29341520  1.0
  Ga  Ga5  1  0.70667575  0.43886445  0.29341520  1.0
  Ga  Ga6  1  0.50000000  0.00000000  0.28520828  1.0
  Ga  Ga7  1  0.56081669  0.70668404  0.70651290  1.0
  Ga  Ga8  1  0.29332425  0.56113555  0.70658480  1.0
  Ga  Ga9  1  0.79331596  0.93918331  0.29348710  1.0
  Ga  Ga10  1  0.93886445  0.20667575  0.70658480  1.0
  Ga  Ga11  1  0.29332425  0.56113555  0.29341520  1.0
  Ga  Ga12  1  0.06113555  0.79332425  0.29341520  1.0
  Ga  Ga13  1  0.70667575  0.43886445  0.70658480  1.0
  Ga  Ga14  1  0.43918331  0.29331596  0.70651290  1.0
  Ga  Ga15  1  0.06113555  0.79332425  0.70658480  1.0
  Ga  Ga16  1  0.20668404  0.06081669  0.70651290  1.0
  Ga  Ga17  1  0.79331596  0.93918331  0.70651290  1.0
  Ga  Ga18  1  0.20668404  0.06081669  0.29348710  1.0
  Ga  Ga19  1  0.00000000  0.50000000  0.71360530  1.0
  Ga  Ga20  1  0.00000000  0.50000000  0.28639470  1.0
  Ga  Ga21  1  0.56081669  0.70668404  0.29348710  1.0
  Ga  Ga22  1  0.43918331  0.29331596  0.29348710  1.0
  Ga  Ga23  1  0.50000000  0.00000000  0.71479172  1.0
  Ru  Ru24  1  0.67829246  0.17829246  0.50000000  1.0
  Ru  Ru25  1  0.82150326  0.67849674  0.50000000  1.0
  Ru  Ru26  1  0.17849674  0.32150326  0.50000000  1.0
  Ru  Ru27  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru28  1  0.32170754  0.82170754  0.50000000  1.0
  Ru  Ru29  1  0.50000000  0.50000000  0.00000000  1.0

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