TbHo11(ErRh3)2

高熵材料 HEA

MP-ID: mp-3295982 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

TbHo11(ErRh3)2

MP-ID

mp-3295982

Elements

Sites

Density

9.7146

g/cm³

Volume

500.00

Å³

Cell a

9.6914

Cell b

9.6912

Cell c

6.1471

α Angle

90.00

β Angle

90.02

γ Angle

120.00

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

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
10.54	8.3929	2.1	(1,-1,0,0)
17.88	4.9601	3.7	(1,0,-1,-1)
17.88	4.9597	8.1	(1,-1,0,-1)
17.89	4.9588	8.7	(1,-1,0,1)
17.89	4.9584	3.8	(1,0,-1,1)
18.31	4.8457	3.0	(2,-1,-1,0)
18.31	4.8456	1.7	(1,-2,1,0)
25.70	3.4665	1.0	(2,0,-2,-1)
25.70	3.4662	1.9	(2,-2,0,-1)
25.71	3.4655	1.9	(2,-2,0,1)
28.13	3.1723	19.4	(3,-1,-2,0)
28.13	3.1723	18.7	(3,-2,-1,0)
28.13	3.1722	19.1	(2,-3,1,0)
29.05	3.0735	10.8	(0,0,0,2)
30.98	2.8865	32.5	(1,0,-1,-2)
30.98	2.8863	32.7	(0,1,-1,-2)
30.98	2.8863	32.7	(1,-1,0,-2)
30.99	2.8859	66.0	(1,-1,0,2)
30.99	2.8858	33.1	(1,0,-1,2)
31.74	2.8194	75.8	(3,-1,-2,-1)
31.74	2.8193	78.0	(3,-2,-1,-1)
31.74	2.8191	77.2	(2,-3,1,-1)
31.74	2.8189	76.6	(2,-3,1,1)
31.75	2.8187	38.6	(3,-2,-1,1)

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Energy Properties

Formation Energy/atom

-0.67778

eV/atom

Energy/atom

-30.95726

eV/atom

Energy above Hull

0.0001

eV/atom

Uncorrected Energy

-30.9573

eV/atom

Volume/atom

25.00

Å³

c/a Ratio

0.6343

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0418

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.550

Element Family

Lanthanide

Solute Fraction

0.450

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0700

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8964

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.548%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4856

smaller = more stable mixing

VEC

10.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7719

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnso

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295982

Reference Citation

The crystal structure and related material properties of TbHo11(ErRh3)2 were obtained from the Materials Project database (MP-ID: mp-3295982, 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_TbHo11(ErRh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69142689
_cell_length_b   9.69121639
_cell_length_c   6.14707988
_cell_angle_alpha   90.00000450
_cell_angle_beta   90.01882442
_cell_angle_gamma   119.99928079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbHo11(ErRh3)2
_chemical_formula_sum   'Tb1 Ho11 Er2 Rh6'
_cell_volume   499.99840518
_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  0.75319410  0.87659705  0.99070529  1.0
  Ho  Ho1  1  0.87636735  0.12385654  0.48925481  1.0
  Ho  Ho2  1  0.54106256  0.45852594  0.80015669  1.0
  Ho  Ho3  1  0.08154096  0.54076948  0.29861786  1.0
  Ho  Ho4  1  0.45826809  0.91777371  0.30031373  1.0
  Ho  Ho5  1  0.54106256  0.08253762  0.80015669  1.0
  Ho  Ho6  1  0.91814838  0.45907519  0.79846768  1.0
  Ho  Ho7  1  0.45826809  0.54049338  0.30031373  1.0
  Ho  Ho8  1  0.12421182  0.24771621  0.98896848  1.0
  Ho  Ho9  1  0.87636735  0.75251181  0.48925481  1.0
  Ho  Ho10  1  0.24672662  0.12336381  0.48926656  1.0
  Ho  Ho11  1  0.12421182  0.87649660  0.98896848  1.0
  Er  Er12  1  0.66630674  0.33315237  0.28320359  1.0
  Er  Er13  1  0.33330253  0.66665226  0.78264772  1.0
  Rh  Rh14  1  0.18958704  0.80950551  0.56403633  1.0
  Rh  Rh15  1  0.38023524  0.19011762  0.06444854  1.0
  Rh  Rh16  1  0.81098118  0.61902323  0.06422740  1.0
  Rh  Rh17  1  0.18958704  0.38008254  0.56403633  1.0
  Rh  Rh18  1  0.61958837  0.80979418  0.56273190  1.0
  Rh  Rh19  1  0.81098118  0.19195695  0.06422740  1.0

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