Ho(MnGe)6

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1104742 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

Ho(MnGe)6

MP-ID

mp-1104742

Elements

Sites

Density

8.1451

g/cm³

Volume

189.68

Å³

Cell a

5.1777

Cell b

5.1777

Cell c

8.1700

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

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
10.83	8.1700	9.3	(0,0,0,1)
19.80	4.4840	2.6	(1,0,-1,0)
21.76	4.0850	1.2	(0,0,0,2)
22.62	3.9309	11.1	(1,0,-1,1)
29.58	3.0198	4.0	(1,0,-1,2)
32.89	2.7233	11.3	(0,0,0,3)
34.65	2.5888	77.1	(2,-1,-1,0)
36.41	2.4679	3.3	(2,-1,-1,1)
38.68	2.3277	43.5	(1,0,-1,3)
40.22	2.2420	49.7	(2,0,-2,0)
41.29	2.1867	100.0	(2,-1,-1,2)
41.78	2.1621	2.3	(2,0,-2,1)
44.35	2.0425	24.1	(0,0,0,4)
46.19	1.9654	37.9	(2,0,-2,2)
48.52	1.8763	15.1	(2,-1,-1,3)
48.52	1.8763	7.6	(1,-2,1,3)
49.01	1.8588	9.1	(1,0,-1,4)
52.90	1.7309	17.5	(2,0,-2,3)
55.36	1.6595	1.4	(3,-1,-2,1)
57.47	1.6035	9.0	(2,-1,-1,4)
60.28	1.5352	2.1	(1,0,-1,5)
61.41	1.5099	5.9	(2,0,-2,4)
62.10	1.4947	14.3	(3,0,-3,0)
64.79	1.4389	6.3	(3,-1,-2,3)

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Energy Properties

Formation Energy/atom

-0.32097

eV/atom

Energy/atom

-7.03696

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.0370

eV/atom

Volume/atom

14.59

Å³

c/a Ratio

1.5779

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.6059

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.061190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.462

Element Family

3d-TM

Solute Fraction

0.538

Interstitial Fraction

0.000

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

2.9037

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.089%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2652

smaller = more stable mixing

VEC

5.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.635

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8292

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaeivjx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1104742

Reference Citation

The crystal structure and related material properties of Ho(MnGe)6 were obtained from the Materials Project database (MP-ID: mp-1104742, 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(MnGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17765900
_cell_length_b   5.17765855
_cell_length_c   8.17001600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho(MnGe)6
_chemical_formula_sum   'Ho1 Mn6 Ge6'
_cell_volume   189.67950419
_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
  Mn  Mn1  1  0.50000000  0.50000000  0.74997600  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.74997600  1.0
  Mn  Mn3  1  0.00000000  0.50000000  0.74997600  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.25002400  1.0
  Mn  Mn5  1  0.50000000  0.00000000  0.25002400  1.0
  Mn  Mn6  1  0.00000000  0.50000000  0.25002400  1.0
  Ge  Ge7  1  0.66666700  0.33333300  0.00000000  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  0.65676200  1.0
  Ge  Ge12  1  0.00000000  0.00000000  0.34323800  1.0

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