Er2Tm3Co2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292467 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Er2Tm3Co2

MP-ID

mp-3292467

Elements

Sites

Density

9.7687

g/cm³

Volume

326.10

Å³

Cell a

6.2053

Cell b

6.7876

Cell c

8.3864

α Angle

95.98

β Angle

111.71

γ Angle

90.00

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
15.38	5.7600	1.1	(1,0,-1)
20.69	4.2927	2.8	(1,-1,-1)
25.04	3.5568	2.8	(1,1,-2)
26.43	3.3724	5.4	(0,2,0)
27.03	3.2982	10.9	(1,-1,-2)
27.64	3.2271	5.7	(0,2,-1)
28.77	3.1027	12.2	(2,0,-1)
30.07	2.9723	21.2	(0,2,1)
30.14	2.9647	36.7	(1,2,-1)
31.05	2.8800	2.1	(2,0,-2)
31.29	2.8588	9.9	(1,2,0)
31.75	2.8187	31.9	(2,1,-1)
31.75	2.8187	31.9	(2,-1,-1)
32.31	2.7710	100.0	(1,0,-3)
33.22	2.6969	24.6	(0,2,-2)
33.31	2.6895	11.5	(2,1,-2)
33.31	2.6895	11.5	(2,-1,0)
33.35	2.6865	18.2	(1,2,-2)
33.35	2.6865	18.2	(1,-2,1)
33.71	2.6585	19.1	(1,1,-3)
34.36	2.6097	27.1	(2,-1,-2)
34.76	2.5807	7.7	(0,0,3)
36.26	2.4773	25.5	(1,-1,-3)
36.42	2.4670	32.4	(1,-2,-2)

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Energy Properties

Formation Energy/atom

-0.12483

eV/atom

Energy/atom

-28.65090

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.6509

eV/atom

Volume/atom

23.29

Å³

c/a Ratio

1.3515

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0118

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0790

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9707

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.055%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2864

smaller = more stable mixing

VEC

11.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9821

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.429

Related Tasks

Related computation task IDs (1)

aaahfinj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292467

Reference Citation

The crystal structure and related material properties of Er2Tm3Co2 were obtained from the Materials Project database (MP-ID: mp-3292467, 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_Er2Tm3Co2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20533892
_cell_length_b   6.78756405
_cell_length_c   8.38636456
_cell_angle_alpha   95.97724865
_cell_angle_beta   111.71352115
_cell_angle_gamma   89.99999894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Tm3Co2
_chemical_formula_sum   'Er4 Tm6 Co4'
_cell_volume   326.09540461
_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  0.98490318  0.91192133  0.18996805  1.0
  Er  Er1  1  0.79493513  0.58807867  0.81003195  1.0
  Er  Er2  1  0.01509682  0.08807867  0.81003195  1.0
  Er  Er3  1  0.20506487  0.41192133  0.18996805  1.0
  Tm  Tm4  1  0.64783639  0.81708477  0.43097166  1.0
  Tm  Tm5  1  0.21686373  0.68291523  0.56902834  1.0
  Tm  Tm6  1  0.35216361  0.18291523  0.56902834  1.0
  Tm  Tm7  1  0.78313627  0.31708477  0.43097166  1.0
  Tm  Tm8  1  0.43074670  0.75000000  0.00000000  1.0
  Tm  Tm9  1  0.56925330  0.25000000  1.00000000  1.0
  Co  Co10  1  0.82812719  0.57200047  0.22363371  1.0
  Co  Co11  1  0.60449349  0.92799953  0.77636629  1.0
  Co  Co12  1  0.17187381  0.42799953  0.77636629  1.0
  Co  Co13  1  0.39550651  0.07200047  0.22363371  1.0

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