Dy7Er13(CoBi5)2

High-Entropy Materials HEA

MP-ID: mp-3295233 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy7Er13(CoBi5)2

MP-ID

mp-3295233

Elements

Sites

Density

10.2370

g/cm³

Volume

895.32

Å³

Cell a

8.0339

Cell b

9.2357

Cell c

12.0667

α Angle

90.00

β Angle

90.03

γ Angle

90.00

Space Group

Point Group

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
13.24	6.6889	1.3	(1,0,-1)
13.24	6.6857	1.0	(1,0,1)
22.13	4.0169	7.1	(2,0,0)
22.20	4.0036	2.0	(1,2,0)
23.34	3.8119	5.2	(2,0,-1)
23.34	3.8107	5.3	(2,0,1)
23.41	3.8002	2.8	(1,2,-1)
23.41	3.7996	2.8	(1,2,1)
24.27	3.6670	3.4	(0,2,2)
24.75	3.5974	11.3	(1,0,-3)
24.76	3.5959	11.3	(1,0,3)
26.59	3.3521	2.5	(1,1,-3)
26.60	3.3509	2.5	(1,1,3)
26.72	3.3363	8.5	(1,2,-2)
26.73	3.3355	8.4	(1,2,2)
28.38	3.1446	5.8	(2,1,-2)
28.39	3.1433	5.7	(2,1,2)
29.00	3.0786	4.4	(0,3,0)
29.61	3.0167	8.8	(0,0,4)
30.41	2.9397	100.0	(2,2,-1)
30.41	2.9392	99.7	(2,2,1)
31.11	2.8747	27.8	(1,3,0)
31.19	2.8676	5.7	(0,1,4)
31.47	2.8430	23.5	(2,0,-3)

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Energy Properties

Formation Energy/atom

-0.70802

eV/atom

Energy/atom

-40.59535

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.5953

eV/atom

Volume/atom

27.98

Å³

c/a Ratio

1.5020

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.8360

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.004280

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.406

Element Family

Lanthanide

Solute Fraction

0.594

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2352

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2693

J/mol·K

Ω Parameter

7.8613

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.695%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3712

smaller = more stable mixing

VEC

9.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.803

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8910

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmpt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295233

Reference Citation

The crystal structure and related material properties of Dy7Er13(CoBi5)2 were obtained from the Materials Project database (MP-ID: mp-3295233, 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_Dy7Er13(CoBi5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03386149
_cell_length_b   9.23565092
_cell_length_c   12.06668875
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.02971936
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Er13(CoBi5)2
_chemical_formula_sum   'Dy7 Er13 Co2 Bi10'
_cell_volume   895.32333010
_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
  Dy  Dy0  1  0.57468572  0.50000000  0.77425622  1.0
  Dy  Dy1  1  0.42534316  0.50000000  0.27447168  1.0
  Dy  Dy2  1  0.90607294  0.00000000  0.19924996  1.0
  Dy  Dy3  1  0.25784806  0.50000000  0.99248168  1.0
  Dy  Dy4  1  0.74244884  0.50000000  0.49309366  1.0
  Dy  Dy5  1  0.09085404  0.50000000  0.71487591  1.0
  Dy  Dy6  1  0.90898891  0.50000000  0.21506872  1.0
  Er  Er7  1  0.43187893  0.17725047  0.56435632  1.0
  Er  Er8  1  0.56764882  0.82257422  0.06380876  1.0
  Er  Er9  1  0.07435861  0.73047367  0.43629798  1.0
  Er  Er10  1  0.92572676  0.26973731  0.93586688  1.0
  Er  Er11  1  0.07435861  0.26952633  0.43629798  1.0
  Er  Er12  1  0.92572676  0.73026269  0.93586688  1.0
  Er  Er13  1  0.43187893  0.82274953  0.56435632  1.0
  Er  Er14  1  0.56764882  0.17742578  0.06380876  1.0
  Er  Er15  1  0.09436724  0.00000000  0.69819369  1.0
  Er  Er16  1  0.19655770  0.00000000  0.99544873  1.0
  Er  Er17  1  0.80347209  0.00000000  0.49593396  1.0
  Er  Er18  1  0.36972898  0.00000000  0.31208072  1.0
  Er  Er19  1  0.63120320  0.00000000  0.81200182  1.0
  Co  Co20  1  0.18015488  0.00000000  0.49047454  1.0
  Co  Co21  1  0.81955782  0.00000000  0.99033538  1.0
  Bi  Bi22  1  0.81425598  0.74332692  0.67192597  1.0
  Bi  Bi23  1  0.18624250  0.25707341  0.17177424  1.0
  Bi  Bi24  1  0.68106789  0.24043992  0.32538914  1.0
  Bi  Bi25  1  0.31807841  0.76014742  0.82485868  1.0
  Bi  Bi26  1  0.68106789  0.75956008  0.32538914  1.0
  Bi  Bi27  1  0.31807841  0.23985258  0.82485868  1.0
  Bi  Bi28  1  0.81425598  0.25667308  0.67192597  1.0
  Bi  Bi29  1  0.18624250  0.74292659  0.17177424  1.0
  Bi  Bi30  1  0.34794039  0.50000000  0.52678529  1.0
  Bi  Bi31  1  0.65225623  0.50000000  0.02669409  1.0

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