Er4Ga16Co3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-862806 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Er4Ga16Co3

MP-ID

mp-862806

Elements

Sites

Density

8.4447

g/cm³

Volume

385.69

Å³

Cell a

5.9431

Cell b

5.9431

Cell c

10.9195

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
8.10	10.9195	5.5	(0,0,1)
16.23	5.4598	6.1	(0,0,2)
21.14	4.2024	28.2	(1,1,0)
24.46	3.6398	2.4	(0,0,3)
26.77	3.3302	7.7	(1,1,2)
30.07	2.9716	2.7	(0,2,0)
30.07	2.9716	2.7	(2,0,0)
31.19	2.8673	10.3	(0,2,1)
31.19	2.8673	10.3	(2,0,1)
32.54	2.7513	17.4	(1,1,-3)
32.54	2.7513	17.4	(1,1,3)
34.36	2.6100	19.9	(0,2,-2)
34.36	2.6100	19.9	(0,2,2)
34.36	2.6100	39.7	(2,0,2)
39.13	2.3019	35.2	(0,2,-3)
39.13	2.3019	35.2	(0,2,3)
39.13	2.3019	70.4	(2,0,3)
41.34	2.1839	40.0	(0,0,5)
42.10	2.1465	1.0	(2,1,3)
43.05	2.1012	100.0	(2,2,0)
45.10	2.0103	6.1	(0,2,-4)
45.10	2.0103	6.1	(0,2,4)
45.10	2.0103	6.1	(2,0,4)
45.10	2.0103	6.1	(2,0,-4)

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Energy Properties

Formation Energy/atom

-0.49500

eV/atom

Energy/atom

-4.32633

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.1022

eV/atom

Volume/atom

16.77

Å³

c/a Ratio

1.8373

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.696

Element Family

PostTransition-Noble

Solute Fraction

0.304

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8223

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.8370

J/mol·K

Ω Parameter

10.3545

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.450%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2215

smaller = more stable mixing

VEC

5.348

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.498

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7485

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

Ga-rich Multi-Component

Matrix Element

Ga · 0.696

Related Tasks

Related computation task IDs (5)

aaachuqm aaadsbqo aaaetqin aaafxcap aaafzzns

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-862806

Reference Citation

The crystal structure and related material properties of Er4Ga16Co3 were obtained from the Materials Project database (MP-ID: mp-862806, 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_Er4Ga16Co3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94311329
_cell_length_b   5.94313844
_cell_length_c   10.91953338
_cell_angle_alpha   90.00001698
_cell_angle_beta   89.99999367
_cell_angle_gamma   90.00000096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Ga16Co3
_chemical_formula_sum   'Er4 Ga16 Co3'
_cell_volume   385.68605455
_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
  Er  Er0  1  -0.00000015  0.49999956  0.19480922  1.0
  Er  Er1  1  0.00000025  0.50000078  0.80519085  1.0
  Er  Er2  1  0.49999989  -0.00000021  0.80519000  1.0
  Er  Er3  1  0.49999994  -0.00000003  0.19481001  1.0
  Ga  Ga4  1  0.00000004  -0.00000009  0.21865599  1.0
  Ga  Ga5  1  -0.00000003  0.00000016  0.78134396  1.0
  Ga  Ga6  1  0.50000005  0.50000001  0.19544285  1.0
  Ga  Ga7  1  0.49999997  0.49999998  0.80455703  1.0
  Ga  Ga8  1  0.28106792  0.28106858  0.00000006  1.0
  Ga  Ga9  1  0.71893205  0.71893134  -0.00000019  1.0
  Ga  Ga10  1  0.28106799  0.71893128  -0.00000005  1.0
  Ga  Ga11  1  0.71893210  0.28106855  -0.00000010  1.0
  Ga  Ga12  1  0.24962464  0.24962629  0.38418580  1.0
  Ga  Ga13  1  0.75037539  0.75037375  0.38418583  1.0
  Ga  Ga14  1  0.24962467  0.75037373  0.61581426  1.0
  Ga  Ga15  1  0.75037533  0.24962628  0.61581424  1.0
  Ga  Ga16  1  0.75037532  0.75037383  0.61581428  1.0
  Ga  Ga17  1  0.24962466  0.24962634  0.61581423  1.0
  Ga  Ga18  1  0.24962459  0.75037377  0.38418582  1.0
  Ga  Ga19  1  0.75037535  0.24962624  0.38418579  1.0
  Co  Co20  1  -0.00000001  0.50000015  0.50000016  1.0
  Co  Co21  1  0.49999996  -0.00000003  0.50000004  1.0
  Co  Co22  1  0.00000008  -0.00000025  -0.00000008  1.0

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