Ho4MnRe2Tc5

高熵材料 HEA

MP-ID: mp-3293707 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Ho4MnRe2Tc5

MP-ID

mp-3293707

Elements

Sites

Density

12.0189

g/cm³

Volume

217.89

Å³

Cell a

5.3061

Cell b

5.2760

Cell c

8.9704

α Angle

90.00

β Angle

90.31

γ Angle

119.81

Space Group

Point Group

Crystal System

Monoclinic

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
9.86	8.9702	66.0	(0,0,1)
19.28	4.6039	11.4	(1,0,0)
19.39	4.5777	3.7	(0,1,0)
19.39	4.5777	3.7	(1,-1,0)
19.79	4.4851	15.4	(0,0,2)
21.64	4.1063	12.6	(1,0,-1)
21.75	4.0856	4.3	(1,0,1)
21.77	4.0826	2.6	(1,-1,-1)
21.77	4.0826	2.6	(0,1,-1)
27.68	3.2227	17.5	(1,0,-2)
27.80	3.2087	5.1	(1,-1,-2)
27.80	3.2087	5.1	(0,1,-2)
27.86	3.2027	17.7	(1,0,2)
27.89	3.1988	5.4	(0,1,2)
27.89	3.1987	5.4	(1,-1,2)
29.88	2.9901	6.0	(0,0,3)
33.79	2.6530	53.2	(1,1,0)
33.79	2.6530	53.2	(2,-1,0)
33.98	2.6380	27.8	(1,-2,0)
35.47	2.5308	3.8	(1,-2,-1)
35.47	2.5308	3.8	(1,-2,1)
35.70	2.5148	83.4	(1,0,-3)
35.82	2.5069	71.2	(1,-1,-3)
35.82	2.5069	71.2	(0,1,-3)

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Energy Properties

Formation Energy/atom

-0.26041

eV/atom

Energy/atom

-31.99818

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.9982

eV/atom

Volume/atom

18.16

Å³

c/a Ratio

1.6906

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.2450

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.010300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tc · 0.417

Element Family

4d-TM

Solute Fraction

0.583

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2367

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2818

J/mol·K

Ω Parameter

22.3409

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.003%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3100

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.056

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8921

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfkjb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293707

Reference Citation

The crystal structure and related material properties of Ho4MnRe2Tc5 were obtained from the Materials Project database (MP-ID: mp-3293707, 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_Ho4MnRe2Tc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30614279
_cell_length_b   5.27594643
_cell_length_c   8.97041879
_cell_angle_alpha   89.99946058
_cell_angle_beta   90.31038599
_cell_angle_gamma   119.81179997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4MnRe2Tc5
_chemical_formula_sum   'Ho4 Mn1 Re2 Tc5'
_cell_volume   217.88869562
_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  0.66733305  0.33366222  0.56452010  1.0
  Ho  Ho1  1  0.33290808  0.66645046  0.43546526  1.0
  Ho  Ho2  1  0.33344476  0.66672523  0.06456301  1.0
  Ho  Ho3  1  0.66713423  0.33357077  0.93540834  1.0
  Mn  Mn4  1  0.00172880  0.00086579  0.00063766  1.0
  Re  Re5  1  0.16766925  0.33769753  0.75010537  1.0
  Re  Re6  1  0.16766593  0.82998140  0.75010419  1.0
  Tc  Tc7  1  0.00238014  0.00118617  0.49881562  1.0
  Tc  Tc8  1  0.65710199  0.82855357  0.75120461  1.0
  Tc  Tc9  1  0.83038928  0.65974802  0.25001278  1.0
  Tc  Tc10  1  0.83039528  0.17063502  0.25001533  1.0
  Tc  Tc11  1  0.34185021  0.17092482  0.24914773  1.0

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