Dy7Y(OsC2)4

High-Entropy Materials HEA

MP-ID: mp-3296365 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy7Y(OsC2)4

MP-ID

mp-3296365

Elements

Sites

Density

10.7526

g/cm³

Volume

321.74

Å³

Cell a

5.1236

Cell b

6.4200

Cell c

9.7815

α Angle

90.01

β Angle

90.00

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
9.04	9.7815	2.4	(0,0,1)
16.52	5.3668	1.2	(0,1,1)
18.14	4.8908	7.4	(0,0,2)
19.56	4.5386	5.1	(1,0,1)
22.86	3.8907	9.1	(0,1,-2)
22.86	3.8902	7.3	(0,1,2)
27.79	3.2100	10.0	(0,2,0)
28.81	3.0986	7.2	(1,1,-2)
28.82	3.0983	3.1	(1,1,2)
30.75	2.9073	9.2	(0,1,-3)
30.76	2.9069	13.1	(0,1,3)
32.55	2.7508	100.0	(1,0,3)
32.93	2.7202	33.5	(1,2,0)
33.39	2.6838	19.8	(0,2,-2)
33.39	2.6834	17.0	(0,2,2)
34.21	2.6208	66.1	(1,2,-1)
34.22	2.6207	77.8	(1,2,1)
35.03	2.5618	95.9	(2,0,0)
35.50	2.5286	42.0	(1,1,-3)
35.51	2.5283	37.8	(1,1,3)
39.39	2.2876	8.5	(0,2,-3)
39.39	2.2873	7.1	(0,2,3)
39.43	2.2853	7.1	(0,1,-4)
39.43	2.2851	7.6	(0,1,4)

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Energy Properties

Formation Energy/atom

-0.52311

eV/atom

Energy/atom

-27.30836

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.3084

eV/atom

Volume/atom

16.09

Å³

c/a Ratio

1.9091

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0208

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000060

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.400

Element Family

Metalloid-Nonmetal

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2056

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0236

J/mol·K

Ω Parameter

1.6469

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

34.561%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6080

smaller = more stable mixing

VEC

6.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.458

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8697

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfohh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296365

Reference Citation

The crystal structure and related material properties of Dy7Y(OsC2)4 were obtained from the Materials Project database (MP-ID: mp-3296365, 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_Dy7Y(OsC2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12357370
_cell_length_b   6.41995333
_cell_length_c   9.78153083
_cell_angle_alpha   90.00822382
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy7Y(OsC2)4
_chemical_formula_sum   'Dy7 Y1 Os4 C8'
_cell_volume   321.74490811
_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  0.75000000  0.31514456  0.44822298  1.0
  Dy  Dy1  1  0.75000000  0.81511641  0.05158268  1.0
  Dy  Dy2  1  0.25000000  0.18479497  0.94841974  1.0
  Dy  Dy3  1  0.25000000  0.52628874  0.21900629  1.0
  Dy  Dy4  1  0.75000000  0.47385521  0.78068455  1.0
  Dy  Dy5  1  0.75000000  0.97390773  0.71925052  1.0
  Dy  Dy6  1  0.25000000  0.02627502  0.28050987  1.0
  Y  Y7  1  0.25000000  0.68568551  0.55148784  1.0
  Os  Os8  1  0.25000000  0.72663482  0.86417481  1.0
  Os  Os9  1  0.75000000  0.27333980  0.13577861  1.0
  Os  Os10  1  0.75000000  0.77342320  0.36396658  1.0
  Os  Os11  1  0.25000000  0.22668102  0.63590520  1.0
  C  C12  1  0.25000000  0.46238771  0.75884936  1.0
  C  C13  1  0.75000000  0.53699105  0.24176994  1.0
  C  C14  1  0.75000000  0.03708459  0.25816186  1.0
  C  C15  1  0.25000000  0.96323806  0.74220586  1.0
  C  C16  1  0.25000000  0.82284770  0.05207465  1.0
  C  C17  1  0.75000000  0.17705877  0.94804329  1.0
  C  C18  1  0.75000000  0.67717815  0.55187483  1.0
  C  C19  1  0.25000000  0.32206697  0.44803255  1.0

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