Ho3Tm(OsC2)2

High-Entropy Materials HEA

MP-ID: mp-3292278 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Ho3Tm(OsC2)2

MP-ID

mp-3292278

Elements

Sites

Density

11.5329

g/cm³

Volume

314.52

Å³

Cell a

5.0676

Cell b

6.4048

Cell c

9.6906

α Angle

90.16

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

Point Group

2/m

Crystal System

Monoclinic

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
18.31	4.8453	3.3	(0,0,2)
19.77	4.4906	4.8	(1,0,1)
22.99	3.8692	4.7	(0,1,-2)
23.05	3.8591	4.8	(0,1,2)
27.86	3.2024	9.7	(0,2,0)
29.04	3.0753	5.7	(1,1,-2)
29.09	3.0702	5.3	(1,1,2)
30.97	2.8873	10.9	(0,1,-3)
31.04	2.8810	11.2	(0,1,3)
32.88	2.7239	100.0	(1,0,3)
33.09	2.7071	39.1	(1,2,0)
33.50	2.6750	17.2	(0,2,-2)
33.59	2.6683	17.7	(0,2,2)
34.38	2.6089	66.0	(1,2,-1)
34.42	2.6058	62.0	(1,2,1)
35.43	2.5338	91.0	(2,0,0)
35.79	2.5087	35.4	(1,1,-3)
35.85	2.5045	37.3	(1,1,3)
39.57	2.2773	8.7	(0,2,-3)
39.69	2.2711	9.6	(0,2,3)
39.74	2.2680	7.6	(0,1,-4)
39.82	2.2639	6.8	(0,1,4)
42.65	2.1197	2.0	(2,1,-2)
42.69	2.1181	2.1	(2,1,2)

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Energy Properties

Formation Energy/atom

-0.54298

eV/atom

Energy/atom

-28.49543

eV/atom

Energy above Hull

0.0001

eV/atom

Uncorrected Energy

-28.4954

eV/atom

Volume/atom

15.73

Å³

c/a Ratio

1.9123

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0117

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

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

1.2799

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6407

J/mol·K

Ω Parameter

4.1289

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

34.409%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6008

smaller = more stable mixing

VEC

7.800

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.454

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9232

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfigc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292278

Reference Citation

The crystal structure and related material properties of Ho3Tm(OsC2)2 were obtained from the Materials Project database (MP-ID: mp-3292278, 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_Ho3Tm(OsC2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06757792
_cell_length_b   6.40477397
_cell_length_c   9.69062901
_cell_angle_alpha   90.15594824
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Tm(OsC2)2
_chemical_formula_sum   'Ho6 Tm2 Os4 C8'
_cell_volume   314.52458770
_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
  Ho  Ho0  1  0.75000000  0.81751106  0.05300476  1.0
  Ho  Ho1  1  0.25000000  0.18248894  0.94699524  1.0
  Ho  Ho2  1  0.25000000  0.52833856  0.21937577  1.0
  Ho  Ho3  1  0.75000000  0.47166144  0.78062423  1.0
  Ho  Ho4  1  0.75000000  0.97160752  0.71681709  1.0
  Ho  Ho5  1  0.25000000  0.02839248  0.28318291  1.0
  Tm  Tm6  1  0.25000000  0.67974330  0.55307128  1.0
  Tm  Tm7  1  0.75000000  0.32025670  0.44692872  1.0
  Os  Os8  1  0.25000000  0.72494649  0.86451774  1.0
  Os  Os9  1  0.75000000  0.27505351  0.13548226  1.0
  Os  Os10  1  0.75000000  0.77549981  0.36671809  1.0
  Os  Os11  1  0.25000000  0.22450019  0.63328191  1.0
  C  C12  1  0.25000000  0.46051446  0.75748059  1.0
  C  C13  1  0.75000000  0.53948554  0.24251941  1.0
  C  C14  1  0.75000000  0.04020382  0.26007999  1.0
  C  C15  1  0.25000000  0.95979618  0.73992001  1.0
  C  C16  1  0.25000000  0.82525973  0.05372052  1.0
  C  C17  1  0.75000000  0.17474027  0.94627948  1.0
  C  C18  1  0.75000000  0.67142953  0.55501773  1.0
  C  C19  1  0.25000000  0.32857047  0.44498227  1.0

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