Ho20Cd6CoOs

高熵材料 HEA

MP-ID: mp-3294314 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Ho20Cd6CoOs

MP-ID

mp-3294314

Elements

Sites

Density

9.2213

g/cm³

Volume

760.32

Å³

Cell a

9.5123

Cell b

9.5123

Cell c

9.7028

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
9.11	9.7028	2.5	(0,0,0,1)
10.74	8.2379	1.8	(1,-1,0,0)
10.74	8.2379	1.8	(0,1,-1,0)
10.74	8.2379	1.8	(1,0,-1,0)
14.10	6.2798	6.8	(1,-1,0,1)
14.10	6.2798	6.8	(0,1,-1,1)
14.10	6.2798	6.8	(1,0,-1,1)
18.29	4.8514	2.3	(0,0,0,2)
18.66	4.7562	2.1	(1,-2,1,0)
18.66	4.7562	2.1	(2,-1,-1,0)
18.66	4.7561	2.1	(1,1,-2,0)
20.80	4.2707	1.0	(1,-2,1,1)
20.80	4.2707	1.0	(2,-1,-1,1)
20.80	4.2707	1.0	(1,1,-2,1)
21.25	4.1804	5.1	(1,-1,0,2)
21.25	4.1804	5.1	(0,1,-1,2)
21.25	4.1804	5.1	(1,0,-1,2)
23.46	3.7915	1.4	(2,-2,0,1)
23.46	3.7915	1.4	(0,2,-2,1)
23.46	3.7915	1.4	(2,0,-2,1)
28.43	3.1399	19.3	(2,-2,0,2)
28.43	3.1399	19.3	(0,2,-2,2)
28.43	3.1399	19.3	(2,0,-2,2)
28.67	3.1136	14.0	(2,-3,1,0)

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Energy Properties

Formation Energy/atom

-0.27262

eV/atom

Energy/atom

-30.43249

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.4325

eV/atom

Volume/atom

27.15

Å³

c/a Ratio

1.0200

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7787

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.002340

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8084

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7214

J/mol·K

Ω Parameter

22.3167

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.487%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2638

smaller = more stable mixing

VEC

11.036

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.466

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5832

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflgk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294314

Reference Citation

The crystal structure and related material properties of Ho20Cd6CoOs were obtained from the Materials Project database (MP-ID: mp-3294314, 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_Ho20Cd6CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51229026
_cell_length_b   9.51233525
_cell_length_c   9.70280140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00028025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho20Cd6CoOs
_chemical_formula_sum   'Ho20 Cd6 Co1 Os1'
_cell_volume   760.32415784
_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
  Ho  Ho0  1  0.99999599  0.99999748  0.49970076  1.0
  Ho  Ho1  1  0.99999599  0.99999748  0.00029924  1.0
  Ho  Ho2  1  0.54077432  0.45922505  0.25000000  1.0
  Ho  Ho3  1  0.54077286  0.08154494  0.25000000  1.0
  Ho  Ho4  1  0.91845825  0.45922807  0.25000000  1.0
  Ho  Ho5  1  0.45819252  0.54180842  0.75000000  1.0
  Ho  Ho6  1  0.45819334  0.91638609  0.75000000  1.0
  Ho  Ho7  1  0.08361497  0.54180749  0.75000000  1.0
  Ho  Ho8  1  0.20997474  0.79002239  0.44052427  1.0
  Ho  Ho9  1  0.20997905  0.41995400  0.44052350  1.0
  Ho  Ho10  1  0.58004194  0.79001796  0.44052285  1.0
  Ho  Ho11  1  0.78731796  0.21268497  0.56365789  1.0
  Ho  Ho12  1  0.78731538  0.57463162  0.56365927  1.0
  Ho  Ho13  1  0.42536543  0.21268426  0.56365926  1.0
  Ho  Ho14  1  0.78731796  0.21268497  0.93634211  1.0
  Ho  Ho15  1  0.78731538  0.57463162  0.93634073  1.0
  Ho  Ho16  1  0.42536543  0.21268426  0.93634074  1.0
  Ho  Ho17  1  0.20997474  0.79002239  0.05947573  1.0
  Ho  Ho18  1  0.20997905  0.41995400  0.05947650  1.0
  Ho  Ho19  1  0.58004194  0.79001796  0.05947715  1.0
  Cd  Cd20  1  0.88514184  0.11487411  0.25000000  1.0
  Cd  Cd21  1  0.88513427  0.77026669  0.25000000  1.0
  Cd  Cd22  1  0.22973066  0.11487334  0.25000000  1.0
  Cd  Cd23  1  0.11417500  0.88583226  0.75000000  1.0
  Cd  Cd24  1  0.11417089  0.22834226  0.75000000  1.0
  Cd  Cd25  1  0.77165613  0.88583148  0.75000000  1.0
  Co  Co26  1  0.66667121  0.33333115  0.75000000  1.0
  Os  Os27  1  0.33332876  0.66666727  0.25000000  1.0

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