Tb11Dy9(Bi2Rh)4

高熵材料 HEA

MP-ID: mp-3293314 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb11Dy9(Bi2Rh)4

MP-ID

mp-3293314

Elements

Sites

Density

9.7646

g/cm³

Volume

900.30

Å³

Cell a

8.0833

Cell b

8.9020

Cell c

12.5116

α Angle

90.00

β Angle

90.00

γ Angle

90.00

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
14.80	5.9843	1.7	(1,1,0)
17.93	4.9474	1.7	(1,0,-2)
17.93	4.9471	1.9	(1,0,2)
19.95	4.4510	3.7	(0,2,0)
21.99	4.0416	13.1	(2,0,0)
23.13	3.8460	2.0	(2,0,-1)
23.13	3.8459	2.0	(2,0,1)
23.90	3.7225	2.3	(1,2,-1)
23.91	3.7224	2.3	(1,2,1)
24.01	3.7064	9.0	(1,0,-3)
24.01	3.7062	8.8	(1,0,3)
24.55	3.6267	1.6	(0,2,2)
25.22	3.5306	2.7	(2,1,-1)
25.23	3.5305	2.7	(2,1,1)
26.95	3.3090	12.2	(1,2,-2)
26.95	3.3089	12.1	(1,2,2)
28.13	3.1721	2.7	(2,1,-2)
28.13	3.1719	2.7	(2,1,2)
28.54	3.1279	4.0	(0,0,4)
30.29	2.9510	1.8	(0,1,4)
30.65	2.9172	57.4	(1,0,-4)
30.65	2.9170	57.9	(1,0,4)
30.72	2.9101	100.0	(2,2,-1)
30.72	2.9101	100.0	(2,2,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.85254

eV/atom

Energy/atom

-38.22411

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.2241

eV/atom

Volume/atom

28.13

Å³

c/a Ratio

1.5478

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.3216

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.003690

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.344

Element Family

Lanthanide

Solute Fraction

0.656

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3303

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0605

J/mol·K

Ω Parameter

6.1876

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.245%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4697

smaller = more stable mixing

VEC

8.281

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.589

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9596

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjty

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293314

Reference Citation

The crystal structure and related material properties of Tb11Dy9(Bi2Rh)4 were obtained from the Materials Project database (MP-ID: mp-3293314, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Tb11Dy9(Bi2Rh)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08327199
_cell_length_b   8.90204092
_cell_length_c   12.51157560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00387881
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb11Dy9(Bi2Rh)4
_chemical_formula_sum   'Tb11 Dy9 Bi8 Rh4'
_cell_volume   900.30317660
_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  0.84143436  0.75000000  0.79565784  1.0
  Tb  Tb1  1  0.15843175  0.25000000  0.20432549  1.0
  Tb  Tb2  1  0.34162512  0.25000000  0.70478674  1.0
  Tb  Tb3  1  0.65861763  0.75000000  0.29517257  1.0
  Tb  Tb4  1  0.37505695  0.75000000  0.69103782  1.0
  Tb  Tb5  1  0.62474796  0.25000000  0.30882119  1.0
  Tb  Tb6  1  0.87507068  0.25000000  0.80897735  1.0
  Tb  Tb7  1  0.12467326  0.75000000  0.19095305  1.0
  Tb  Tb8  1  0.94902531  0.75000000  0.50145244  1.0
  Tb  Tb9  1  0.05133214  0.25000000  0.49853900  1.0
  Tb  Tb10  1  0.44885267  0.25000000  0.99845999  1.0
  Dy  Dy11  1  0.55142857  0.75000000  0.00155907  1.0
  Dy  Dy12  1  0.67585897  0.04142310  0.56647178  1.0
  Dy  Dy13  1  0.32435052  0.95851776  0.43343840  1.0
  Dy  Dy14  1  0.17601680  0.95819110  0.93375609  1.0
  Dy  Dy15  1  0.32435052  0.54148224  0.43343840  1.0
  Dy  Dy16  1  0.82393403  0.04129927  0.06628012  1.0
  Dy  Dy17  1  0.67585897  0.45857690  0.56647178  1.0
  Dy  Dy18  1  0.82393403  0.45870073  0.06628012  1.0
  Dy  Dy19  1  0.17601680  0.54180890  0.93375609  1.0
  Bi  Bi20  1  0.56603282  0.49205820  0.82722193  1.0
  Bi  Bi21  1  0.43405966  0.50872782  0.17278939  1.0
  Bi  Bi22  1  0.06603139  0.50832535  0.67335325  1.0
  Bi  Bi23  1  0.43405966  0.99127218  0.17278939  1.0
  Bi  Bi24  1  0.93401723  0.49159604  0.32674138  1.0
  Bi  Bi25  1  0.56603282  0.00794180  0.82722193  1.0
  Bi  Bi26  1  0.93401723  0.00840396  0.32674138  1.0
  Bi  Bi27  1  0.06603139  0.99167465  0.67335325  1.0
  Rh  Rh28  1  0.57027525  0.75000000  0.50946151  1.0
  Rh  Rh29  1  0.42985585  0.25000000  0.49059726  1.0
  Rh  Rh30  1  0.07026620  0.25000000  0.99034259  1.0
  Rh  Rh31  1  0.92870345  0.75000000  0.00975441  1.0

Get direct link