Ho(CrGe)6

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9441 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

Ho(CrGe)6

MP-ID

mp-9441

Elements

Sites

Density

8.2693

g/cm³

Volume

183.29

Å³

Cell a

5.0634

Cell b

5.0634

Cell c

8.2552

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6/mmm

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

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
10.72	8.2552	14.0	(0,0,0,1)
20.25	4.3850	1.5	(1,0,-1,0)
20.25	4.3850	3.1	(1,-1,0,0)
21.53	4.1276	3.2	(0,0,0,2)
22.97	3.8726	5.2	(1,0,-1,1)
22.97	3.8726	10.5	(1,-1,0,1)
29.73	3.0055	6.4	(1,0,-1,2)
32.54	2.7517	18.0	(0,0,0,3)
35.46	2.5317	76.7	(2,-1,-1,0)
35.46	2.5317	38.3	(1,-2,1,0)
37.15	2.4204	3.1	(2,-1,-1,1)
37.15	2.4204	1.6	(1,-2,1,1)
38.63	2.3308	67.3	(1,0,-1,3)
41.17	2.1925	22.7	(2,0,-2,0)
41.17	2.1925	45.4	(2,-2,0,0)
41.86	2.1581	50.0	(2,-1,-1,2)
41.86	2.1581	100.0	(1,1,-2,2)
42.67	2.1190	1.1	(2,0,-2,1)
42.67	2.1190	2.1	(2,-2,0,1)
43.87	2.0638	36.4	(0,0,0,4)
46.92	1.9363	16.7	(2,0,-2,2)
46.92	1.9363	33.4	(2,-2,0,2)
48.77	1.8673	14.8	(1,0,-1,4)
48.89	1.8631	22.8	(2,-1,-1,3)

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Energy Properties

Formation Energy/atom

-0.19566

eV/atom

Energy/atom

-7.13828

eV/atom

Energy above Hull

0.0145

eV/atom

Uncorrected Energy

-15.9599

eV/atom

Volume/atom

14.10

Å³

c/a Ratio

1.6304

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.462

Element Family

3d-TM

Solute Fraction

0.538

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9110

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5742

J/mol·K

Ω Parameter

2.3809

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.985%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2329

smaller = more stable mixing

VEC

5.462

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.404

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8292

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.682

Family

Cr-rich Multi-Component

Matrix Element

Cr · 0.462

Related Tasks

Related computation task IDs (5)

aaadmyyu aaadsqhv aaaelntd aaaeubqe aaafievx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9441

Reference Citation

The crystal structure and related material properties of Ho(CrGe)6 were obtained from the Materials Project database (MP-ID: mp-9441, 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_Ho(CrGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06334723
_cell_length_b   5.06334589
_cell_length_c   8.25516665
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(CrGe)6
_chemical_formula_sum   'Ho1 Cr6 Ge6'
_cell_volume   183.28705970
_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  -0.00000000  0.00000000  -0.00000000  1.0
  Cr  Cr1  1  -0.00000000  0.50000000  0.74990930  1.0
  Cr  Cr2  1  -0.00000000  0.50000000  0.25009070  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.25009070  1.0
  Cr  Cr4  1  0.50000000  -0.00000000  0.25009070  1.0
  Cr  Cr5  1  0.50000000  0.50000000  0.74990930  1.0
  Cr  Cr6  1  0.50000000  0.00000000  0.74990930  1.0
  Ge  Ge7  1  -0.00000000  -0.00000000  0.65383747  1.0
  Ge  Ge8  1  0.33333300  0.66666700  -0.00000000  1.0
  Ge  Ge9  1  0.66666700  0.33333300  0.50000000  1.0
  Ge  Ge10  1  0.33333300  0.66666700  0.50000000  1.0
  Ge  Ge11  1  -0.00000000  0.00000000  0.34616253  1.0
  Ge  Ge12  1  0.66666700  0.33333300  -0.00000000  1.0

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