Tb8Ho2Os3Ru

高熵材料 HEA

MP-ID: mp-3295348 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb8Ho2Os3Ru

MP-ID

mp-3295348

Elements

Sites

Density

10.4425

g/cm³

Volume

361.45

Å³

Cell a

6.3760

Cell b

7.2958

Cell c

8.4601

α Angle

96.82

β Angle

112.17

γ Angle

89.95

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
11.39	7.7701	21.9	(0,0,1)
12.23	7.2358	5.0	(0,1,0)
15.02	5.8998	16.5	(1,0,-1)
15.02	5.8978	3.8	(1,0,0)
15.63	5.6695	3.0	(0,1,-1)
17.79	4.9866	2.2	(0,1,1)
18.93	4.6870	4.7	(1,1,-1)
18.95	4.6827	2.6	(1,-1,0)
19.87	4.4680	59.5	(1,1,0)
19.88	4.4660	64.6	(1,-1,-1)
22.12	4.0195	2.7	(1,0,1)
22.89	3.8851	15.9	(0,0,2)
24.22	3.6742	8.5	(1,1,-2)
24.24	3.6711	8.5	(1,-1,1)
24.61	3.6179	1.4	(0,2,0)
25.80	3.4532	1.1	(0,2,-1)
26.41	3.3750	1.5	(1,1,1)
26.41	3.3749	2.2	(1,-1,-2)
28.29	3.1542	42.6	(1,2,-1)
28.32	3.1519	36.8	(1,-2,0)
28.52	3.1301	20.0	(0,2,1)
29.58	3.0201	22.1	(1,2,0)
29.59	3.0186	9.0	(1,-2,-1)
30.30	2.9499	4.0	(2,0,-2)

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Energy Properties

Formation Energy/atom

-0.34059

eV/atom

Energy/atom

-36.05162

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-36.0516

eV/atom

Volume/atom

25.82

Å³

c/a Ratio

1.3269

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0048

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1164

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.2815

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.122%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4872

smaller = more stable mixing

VEC

9.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8053

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmue

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295348

Reference Citation

The crystal structure and related material properties of Tb8Ho2Os3Ru were obtained from the Materials Project database (MP-ID: mp-3295348, 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_Tb8Ho2Os3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37600953
_cell_length_b   7.29578025
_cell_length_c   8.46010552
_cell_angle_alpha   96.82312433
_cell_angle_beta   112.17161039
_cell_angle_gamma   89.95305374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8Ho2Os3Ru
_chemical_formula_sum   'Tb8 Ho2 Os3 Ru1'
_cell_volume   361.45114217
_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
  Tb  Tb0  1  0.97877235  0.91440286  0.18285562  1.0
  Tb  Tb1  1  0.79359671  0.58532748  0.81666291  1.0
  Tb  Tb2  1  0.02035151  0.08486077  0.81359304  1.0
  Tb  Tb3  1  0.20575350  0.41280868  0.18250653  1.0
  Tb  Tb4  1  0.63994384  0.81606954  0.43202752  1.0
  Tb  Tb5  1  0.20921216  0.68303780  0.56656464  1.0
  Tb  Tb6  1  0.35880166  0.18480401  0.56839187  1.0
  Tb  Tb7  1  0.79287529  0.31814243  0.43394635  1.0
  Ho  Ho8  1  0.42500848  0.74947807  0.99955805  1.0
  Ho  Ho9  1  0.57539770  0.25029738  0.99997698  1.0
  Os  Os10  1  0.82429846  0.57618258  0.21843143  1.0
  Os  Os11  1  0.60485341  0.92458224  0.78184265  1.0
  Os  Os12  1  0.17677622  0.42393989  0.78264363  1.0
  Ru  Ru13  1  0.39435970  0.07606529  0.22099880  1.0

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