HoCd(NiPt)2

高熵材料 HEA

MP-ID: mp-3250365 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

HoCd(NiPt)2

MP-ID

mp-3250365

Elements

Sites

Density

13.5679

g/cm³

Volume

96.06

Å³

Cell a

4.9949

Cell b

5.1234

Cell c

5.1234

α Angle

63.36

β Angle

60.83

γ Angle

60.83

Space Group

Imm2

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
20.66	4.2991	4.4	(0,1,0)
21.71	4.0943	31.5	(1,0,0)
24.91	3.5739	24.3	(0,1,1)
35.09	2.5573	43.1	(1,0,-1)
35.96	2.4974	36.8	(2,1,1)
40.10	2.2486	33.3	(1,-1,1)
40.10	2.2486	100.0	(1,2,0)
41.45	2.1786	10.3	(0,2,1)
41.45	2.1786	10.3	(0,1,2)
41.83	2.1595	17.9	(2,0,1)
41.83	2.1595	17.9	(2,2,1)
42.02	2.1505	27.2	(1,-1,-1)
42.02	2.1505	27.2	(1,2,2)
42.03	2.1496	21.5	(0,2,0)
42.03	2.1496	21.5	(0,0,2)
44.24	2.0471	41.2	(2,0,0)
49.82	1.8305	2.9	(2,0,2)
49.82	1.8305	2.9	(2,2,0)
51.12	1.7869	2.8	(0,2,2)
54.64	1.6799	1.7	(1,-2,0)
54.64	1.6799	1.7	(1,3,1)
54.64	1.6799	3.5	(1,1,3)
56.01	1.6417	1.1	(2,3,2)
56.48	1.6292	6.8	(2,-1,1)

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Energy Properties

Formation Energy/atom

-0.69314

eV/atom

Energy/atom

-30.68067

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.6807

eV/atom

Volume/atom

16.01

Å³

c/a Ratio

1.0257

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6016

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.006260

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

3.8751

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.319%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3606

smaller = more stable mixing

VEC

10.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.691

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahcygb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3250365

Reference Citation

The crystal structure and related material properties of HoCd(NiPt)2 were obtained from the Materials Project database (MP-ID: mp-3250365, 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_HoCd(NiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99484708
_cell_length_b   5.12340931
_cell_length_c   5.12340888
_cell_angle_alpha   63.35917249
_cell_angle_beta   60.82665375
_cell_angle_gamma   60.82666563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoCd(NiPt)2
_chemical_formula_sum   'Ho1 Cd1 Ni2 Pt2'
_cell_volume   96.06147764
_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  0.24855430  0.25144570  0.25144570  1.0
  Cd  Cd1  1  0.00782609  0.99217391  0.99217391  1.0
  Ni  Ni2  1  0.12146826  0.62771003  0.62771003  1.0
  Ni  Ni3  1  0.62311268  0.62771003  0.62771003  1.0
  Pt  Pt4  1  0.62451934  0.62633749  0.12462484  1.0
  Pt  Pt5  1  0.62451934  0.12462484  0.62633749  1.0

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