DyHo8ThRu4

高熵材料 HEA

MP-ID: mp-3295457 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

DyHo8ThRu4

MP-ID

mp-3295457

Elements

Sites

Density

9.8350

g/cm³

Volume

357.65

Å³

Cell a

6.3601

Cell b

7.1852

Cell c

8.5209

α Angle

96.35

β Angle

112.23

γ Angle

90.61

Space Group

Point Group

Crystal System

Triclinic

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
11.31	7.8267	5.2	(0,0,1)
12.42	7.1294	2.2	(0,1,0)
15.00	5.9061	2.0	(1,0,-1)
15.74	5.6293	1.5	(0,1,-1)
17.84	4.9727	1.5	(0,1,1)
19.86	4.4696	21.6	(1,-1,-1)
20.12	4.4132	8.9	(1,1,0)
21.96	4.0476	1.1	(1,0,-2)
22.11	4.0202	1.1	(1,0,1)
22.72	3.9134	3.5	(0,0,2)
24.98	3.5647	6.0	(0,2,0)
26.15	3.4072	4.2	(0,2,-1)
26.27	3.3929	8.1	(1,-1,-2)
26.55	3.3574	9.6	(1,1,1)
28.06	3.1798	7.9	(2,0,-1)
28.53	3.1282	36.5	(1,-2,0)
28.78	3.1023	39.5	(0,2,1)
28.78	3.1019	32.6	(1,2,-1)
29.74	3.0043	16.8	(1,-2,-1)
30.05	2.9736	11.5	(1,2,0)
30.27	2.9531	4.0	(2,0,-2)
30.42	2.9389	2.1	(2,0,0)
30.65	2.9165	76.5	(2,-1,-1)
30.92	2.8917	73.5	(2,1,-1)

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Energy Properties

Formation Energy/atom

-0.40643

eV/atom

Energy/atom

-33.99257

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.9926

eV/atom

Volume/atom

25.55

Å³

c/a Ratio

1.3398

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1440

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000400

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0547

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7689

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.483%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4359

smaller = more stable mixing

VEC

9.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7608

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmyj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295457

Reference Citation

The crystal structure and related material properties of DyHo8ThRu4 were obtained from the Materials Project database (MP-ID: mp-3295457, 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_DyHo8ThRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36006371
_cell_length_b   7.18518782
_cell_length_c   8.52089014
_cell_angle_alpha   96.35319408
_cell_angle_beta   112.23044429
_cell_angle_gamma   90.61148304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHo8ThRu4
_chemical_formula_sum   'Dy1 Ho8 Th1 Ru4'
_cell_volume   357.64808677
_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
  Dy  Dy0  1  0.79048330  0.58494259  0.80774144  1.0
  Ho  Ho1  1  0.02243509  0.08734125  0.81205831  1.0
  Ho  Ho2  1  0.20897148  0.41369351  0.18618775  1.0
  Ho  Ho3  1  0.64167431  0.81569613  0.43533972  1.0
  Ho  Ho4  1  0.21079672  0.68474848  0.56907310  1.0
  Ho  Ho5  1  0.35584832  0.18781570  0.57063211  1.0
  Ho  Ho6  1  0.78946513  0.31319473  0.43420091  1.0
  Ho  Ho7  1  0.42338603  0.74681578  0.99724643  1.0
  Ho  Ho8  1  0.57714133  0.25010596  0.99999852  1.0
  Th  Th9  1  0.98710305  0.90672778  0.18958695  1.0
  Ru  Ru10  1  0.83351804  0.58702672  0.22130416  1.0
  Ru  Ru11  1  0.61093267  0.92741960  0.78140280  1.0
  Ru  Ru12  1  0.17383810  0.42569778  0.77749447  1.0
  Ru  Ru13  1  0.37440743  0.06876999  0.21773234  1.0

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