Er2Co3B8Os5

High-Entropy Materials HEA

MP-ID: mp-3292580 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Er2Co3B8Os5

MP-ID

mp-3292580

Elements

Sites

Density

12.3902

g/cm³

Volume

207.59

Å³

Cell a

7.2106

Cell b

7.2684

Cell c

3.9617

α Angle

89.87

β Angle

90.03

γ Angle

88.94

Space Group

Point Group

Crystal System

Triclinic

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
12.18	7.2671	45.7	(0,1,0)
12.28	7.2093	43.1	(1,0,0)
17.16	5.1660	15.4	(1,1,0)
17.49	5.0715	26.3	(1,-1,0)
22.44	3.9617	2.0	(0,0,1)
24.50	3.6336	13.8	(0,2,0)
24.70	3.6047	12.5	(2,0,0)
25.59	3.4817	4.8	(0,1,1)
25.63	3.4751	18.9	(0,1,-1)
25.65	3.4727	6.9	(1,0,-1)
25.66	3.4713	20.6	(1,0,1)
27.28	3.2691	2.9	(1,2,0)
27.42	3.2532	2.1	(2,1,0)
27.70	3.2209	2.8	(1,-2,0)
27.83	3.2058	11.6	(2,-1,0)
28.37	3.1456	32.3	(1,1,1)
28.41	3.1418	6.1	(1,1,-1)
28.56	3.1250	23.2	(1,-1,-1)
28.62	3.1191	23.2	(1,-1,1)
33.42	2.6808	1.4	(0,2,1)
33.50	2.6748	11.8	(0,2,-1)
33.62	2.6655	10.3	(2,0,1)
34.73	2.5830	2.5	(2,2,0)
35.40	2.5358	13.7	(2,-2,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.48023

eV/atom

Energy/atom

-24.43859

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.4386

eV/atom

Volume/atom

11.53

Å³

c/a Ratio

0.5494

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0241

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.004930

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

B · 0.444

Element Family

Metalloid-Nonmetal

Solute Fraction

0.556

Interstitial Fraction

0.444

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2590

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.4673

J/mol·K

Ω Parameter

1.2273

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.982%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2783

smaller = more stable mixing

VEC

6.389

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-20.957

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9082

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfirs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292580

Reference Citation

The crystal structure and related material properties of Er2Co3B8Os5 were obtained from the Materials Project database (MP-ID: mp-3292580, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Er2Co3B8Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21056240
_cell_length_b   7.26836244
_cell_length_c   3.96169214
_cell_angle_alpha   89.87120035
_cell_angle_beta   90.02631571
_cell_angle_gamma   88.94297520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Co3B8Os5
_chemical_formula_sum   'Er2 Co3 B8 Os5'
_cell_volume   207.59236512
_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  0.00053536  0.99813054  0.08989042  1.0
  Er  Er1  1  0.49995407  0.50648440  0.61941486  1.0
  Co  Co2  1  0.37534883  0.87486034  0.37364318  1.0
  Co  Co3  1  0.61377759  0.87226850  0.87185995  1.0
  Co  Co4  1  0.37189526  0.11083449  0.87601796  1.0
  B  B5  1  0.34005358  0.81600451  0.87832947  1.0
  B  B6  1  0.66407271  0.19413051  0.87489427  1.0
  B  B7  1  0.31504417  0.15504907  0.37802608  1.0
  B  B8  1  0.68417124  0.84020609  0.37696914  1.0
  B  B9  1  0.17364784  0.72908389  0.59631662  1.0
  B  B10  1  0.83181673  0.27751701  0.59881870  1.0
  B  B11  1  0.22528672  0.32176769  0.09589278  1.0
  B  B12  1  0.77059876  0.67449575  0.09551535  1.0
  Os  Os13  1  0.84842582  0.39563849  0.09968455  1.0
  Os  Os14  1  0.16155444  0.60954432  0.10128067  1.0
  Os  Os15  1  0.89220188  0.66014912  0.60087627  1.0
  Os  Os16  1  0.11480477  0.34345411  0.60039912  1.0
  Os  Os17  1  0.61681024  0.12038017  0.37216961  1.0

Get direct link