Er3(CoGe2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078499 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Er3(CoGe2)2

MP-ID

mp-1078499

Elements

Sites

Density

9.3165

g/cm³

Volume

162.23

Å³

Cell a

5.6489

Cell b

5.6489

Cell c

7.9015

α Angle

73.63

β Angle

73.63

γ Angle

42.46

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

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
11.75	7.5317	2.0	(0,0,1)
18.03	4.9190	2.1	(1,1,1)
24.10	3.6931	15.3	(1,1,-1)
24.90	3.5756	10.8	(1,1,2)
25.08	3.5508	45.2	(1,0,1)
31.53	2.8375	4.9	(1,0,2)
33.86	2.6471	89.5	(2,1,1)
34.07	2.6314	16.6	(2,2,1)
34.63	2.5900	98.6	(2,1,0)
34.79	2.5789	40.9	(1,1,3)
35.48	2.5303	100.0	(1,0,-2)
35.77	2.5106	50.1	(0,0,3)
35.78	2.5096	4.8	(2,2,0)
36.53	2.4595	14.6	(2,2,2)
37.25	2.4140	12.9	(2,1,2)
39.35	2.2900	15.3	(2,1,-1)
40.79	2.2122	15.6	(1,0,3)
41.21	2.1906	25.0	(2,2,-1)
42.54	2.1250	6.0	(2,2,3)
43.96	2.0596	58.0	(2,1,3)
44.29	2.0453	63.3	(1,-1,0)
44.99	2.0148	6.7	(1,1,-3)
45.57	1.9907	6.4	(1,0,-3)
47.00	1.9332	11.7	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.70840

eV/atom

Energy/atom

-5.87085

eV/atom

Energy above Hull

0.0008

eV/atom

Uncorrected Energy

-21.1331

eV/atom

Volume/atom

18.03

Å³

c/a Ratio

1.3988

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Ge · 0.444

Element Family

PostTransition-Noble

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

9.8932

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.638%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3462

smaller = more stable mixing

VEC

7.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.366

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.433

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.444

Related Tasks

Related computation task IDs (5)

aaadndbv aaadsnht aaaemjmf aaaerlto aaafiwbi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078499

Reference Citation

The crystal structure and related material properties of Er3(CoGe2)2 were obtained from the Materials Project database (MP-ID: mp-1078499, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Er3(CoGe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64891059
_cell_length_b   5.64891059
_cell_length_c   7.90147571
_cell_angle_alpha   73.63075765
_cell_angle_beta   73.63075765
_cell_angle_gamma   42.45508483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3(CoGe2)2
_chemical_formula_sum   'Er3 Co2 Ge4'
_cell_volume   162.23075571
_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  0.37564835  0.37564835  0.69212085  1.0
  Er  Er1  1  0.62435165  0.62435165  0.30787915  1.0
  Er  Er2  1  0.00000000  0.00000000  -0.00000000  1.0
  Co  Co3  1  0.30652016  0.30652016  0.37399722  1.0
  Co  Co4  1  0.69347984  0.69347984  0.62600278  1.0
  Ge  Ge5  1  0.09644326  0.09644326  0.60125885  1.0
  Ge  Ge6  1  0.90355674  0.90355674  0.39874115  1.0
  Ge  Ge7  1  0.70767186  0.70767186  0.91975235  1.0
  Ge  Ge8  1  0.29232814  0.29232814  0.08024765  1.0

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