ErCoSn2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-30913 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

ErCoSn2

MP-ID

mp-30913

Elements

Sites

Density

8.7026

g/cm³

Volume

176.92

Å³

Cell a

9.6396

Cell b

9.6396

Cell c

4.3773

α Angle

90.00

β Angle

90.00

γ Angle

154.22

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
9.41	9.3967	8.1	(1,-1,0)
22.41	3.9679	2.5	(1,-1,1)
25.11	3.5459	10.4	(2,-1,0)
28.50	3.1322	5.6	(3,-3,0)
29.50	3.0279	7.7	(1,0,1)
31.61	2.8303	18.7	(3,-2,0)
32.50	2.7553	100.0	(2,-1,1)
35.23	2.5473	31.2	(3,-3,1)
37.85	2.3768	9.8	(3,-2,1)
38.32	2.3492	2.5	(4,-4,0)
39.57	2.2775	4.9	(4,-3,0)
41.25	2.1887	25.6	(0,0,2)
42.01	2.1507	24.3	(1,1,0)
43.73	2.0699	6.2	(4,-4,1)
44.86	2.0204	7.2	(4,-3,1)
48.44	1.8793	2.0	(5,-5,0)
48.46	1.8785	13.9	(5,-4,0)
48.90	1.8625	3.7	(2,-1,2)
50.90	1.7941	2.5	(3,-3,2)
51.55	1.7730	2.4	(4,-2,0)
52.88	1.7314	8.7	(3,-2,2)
53.03	1.7269	4.4	(5,-5,1)
55.96	1.6433	16.7	(4,-2,1)
57.56	1.6014	1.6	(4,-4,2)

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Energy Properties

Formation Energy/atom

-0.33089

eV/atom

Energy/atom

-5.26096

eV/atom

Energy above Hull

0.0928

eV/atom

Uncorrected Energy

-5.2610

eV/atom

Volume/atom

22.12

Å³

c/a Ratio

0.4541

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

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

Sn · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.9575

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.751%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3020

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.057

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.572

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.500

Related Tasks

Related computation task IDs (5)

aaaddpwl aaadndwo aaadsnsp aaaeuclc aaafcpsy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30913

Reference Citation

The crystal structure and related material properties of ErCoSn2 were obtained from the Materials Project database (MP-ID: mp-30913, 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_ErCoSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63964160
_cell_length_b   9.63964160
_cell_length_c   4.37733600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   154.21685496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCoSn2
_chemical_formula_sum   'Er2 Co2 Sn4'
_cell_volume   176.92418303
_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  0.11784400  0.88215600  0.75000000  1.0
  Er  Er1  1  0.88215600  0.11784400  0.25000000  1.0
  Co  Co2  1  0.67673600  0.32326400  0.25000000  1.0
  Co  Co3  1  0.32326400  0.67673600  0.75000000  1.0
  Sn  Sn4  1  0.74900800  0.25099200  0.75000000  1.0
  Sn  Sn5  1  0.25099200  0.74900800  0.25000000  1.0
  Sn  Sn6  1  0.54788800  0.45211200  0.25000000  1.0
  Sn  Sn7  1  0.45211200  0.54788800  0.75000000  1.0

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