Dy10GaBi5C2

High-Entropy Materials HEA

MP-ID: mp-3296351 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Dy10GaBi5C2

MP-ID

mp-3296351

Elements

Sites

Density

10.0483

g/cm³

Volume

456.71

Å³

Cell a

8.9906

Cell b

8.9906

Cell c

6.5247

α Angle

90.00

β Angle

90.00

γ Angle

120.01

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
11.36	7.7864	3.0	(1,-1,0,0)
11.37	7.7856	1.0	(1,0,-1,0)
13.57	6.5247	1.4	(0,0,0,1)
17.74	5.0010	2.0	(1,-1,0,1)
17.74	5.0008	3.0	(1,0,-1,1)
19.75	4.4953	2.3	(2,-1,-1,0)
22.84	3.8928	2.7	(2,0,-2,0)
24.04	3.7018	7.9	(2,-1,-1,1)
24.04	3.7018	7.9	(1,-2,1,1)
24.04	3.7015	5.8	(1,1,-2,1)
26.66	3.3433	1.4	(2,-2,0,1)
26.67	3.3430	1.3	(2,0,-2,1)
26.67	3.3430	1.3	(0,2,-2,1)
27.34	3.2623	46.1	(0,0,0,2)
29.69	3.0089	4.3	(1,-1,0,2)
29.69	3.0089	32.8	(1,0,-1,2)
30.37	2.9429	10.5	(3,-2,-1,0)
30.37	2.9428	15.9	(3,-1,-2,0)
30.37	2.9428	15.9	(1,-3,2,0)
30.38	2.9426	29.8	(2,1,-3,0)
33.40	2.6827	100.0	(3,-2,-1,1)
33.40	2.6826	71.5	(3,-1,-2,1)
33.40	2.6824	67.4	(2,1,-3,1)
33.95	2.6403	76.6	(2,-1,-1,2)

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Energy Properties

Formation Energy/atom

-0.85321

eV/atom

Energy/atom

-36.61247

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.6125

eV/atom

Volume/atom

25.37

Å³

c/a Ratio

0.7257

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0832

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000180

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.111

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0871

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0379

J/mol·K

Ω Parameter

6.6261

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.231%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4811

smaller = more stable mixing

VEC

7.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.082

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7842

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfogt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296351

Reference Citation

The crystal structure and related material properties of Dy10GaBi5C2 were obtained from the Materials Project database (MP-ID: mp-3296351, 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_Dy10GaBi5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99063117
_cell_length_b   8.99062979
_cell_length_c   6.52468141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00680771
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy10GaBi5C2
_chemical_formula_sum   'Dy10 Ga1 Bi5 C2'
_cell_volume   456.70991812
_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  0.65345872  0.33581951  0.99462897  1.0
  Dy  Dy1  1  0.33581951  0.65345872  0.99462897  1.0
  Dy  Dy2  1  0.33581951  0.65345872  0.50537103  1.0
  Dy  Dy3  1  0.65345872  0.33581951  0.50537103  1.0
  Dy  Dy4  1  0.79319284  0.79319284  0.75000000  1.0
  Dy  Dy5  1  0.21656634  0.01139686  0.75000000  1.0
  Dy  Dy6  1  0.01139686  0.21656634  0.75000000  1.0
  Dy  Dy7  1  0.21101041  0.21101041  0.25000000  1.0
  Dy  Dy8  1  0.79252732  0.00153473  0.25000000  1.0
  Dy  Dy9  1  0.00153473  0.79252732  0.25000000  1.0
  Ga  Ga10  1  0.40171781  0.40171781  0.75000000  1.0
  Bi  Bi11  1  0.60008671  0.00004450  0.75000000  1.0
  Bi  Bi12  1  0.00004450  0.60008671  0.75000000  1.0
  Bi  Bi13  1  0.59859550  0.59859550  0.25000000  1.0
  Bi  Bi14  1  0.40006775  0.99455551  0.25000000  1.0
  Bi  Bi15  1  0.99455551  0.40006775  0.25000000  1.0
  C  C16  1  0.00007313  0.00007313  0.00144609  1.0
  C  C17  1  0.00007313  0.00007313  0.49855391  1.0

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