Tb5(Tm5Bi4)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293281 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb5(Tm5Bi4)3

MP-ID

mp-3293281

Elements

Sites

Density

10.6216

g/cm³

Volume

912.44

Å³

Cell a

8.1669

Cell b

9.3596

Cell c

11.9369

α Angle

89.97

β Angle

90.05

γ Angle

90.07

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
13.13	6.7429	1.1	(1,0,-1)
13.14	6.7378	1.3	(1,0,1)
14.84	5.9685	3.0	(0,0,2)
18.96	4.6798	2.0	(0,2,0)
21.76	4.0834	4.6	(2,0,0)
23.01	3.8646	4.3	(2,0,-1)
23.03	3.8627	4.5	(2,0,1)
23.12	3.8470	5.5	(1,-2,-1)
23.13	3.8450	5.5	(1,-2,1)
23.15	3.8423	5.3	(1,2,1)
23.15	3.8422	5.4	(1,2,-1)
23.76	3.7445	2.3	(2,-1,0)
23.78	3.7410	2.4	(2,1,0)
24.16	3.6837	3.8	(0,2,2)
24.17	3.6818	3.7	(0,2,-2)
24.30	3.6625	1.1	(0,1,3)
24.88	3.5782	21.5	(1,0,-3)
24.90	3.5759	21.4	(1,0,3)
26.56	3.3560	1.0	(1,2,2)
29.59	3.0189	7.7	(0,3,1)
29.60	3.0181	6.8	(0,3,-1)
29.94	2.9842	21.1	(0,0,4)
29.97	2.9819	50.1	(2,-2,-1)
29.98	2.9805	50.6	(2,-2,1)

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Energy Properties

Formation Energy/atom

-0.78110

eV/atom

Energy/atom

-44.06157

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-44.0616

eV/atom

Volume/atom

28.51

Å³

c/a Ratio

1.4616

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.1581

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004560

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 0.469

Element Family

Lanthanide

Solute Fraction

0.531

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4223

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.287%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3943

smaller = more stable mixing

VEC

9.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9221

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.483

Family

Tm-rich Multi-Component

Matrix Element

Tm · 0.469

Related Tasks

Related computation task IDs (1)

aaahfjsr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293281

Reference Citation

The crystal structure and related material properties of Tb5(Tm5Bi4)3 were obtained from the Materials Project database (MP-ID: mp-3293281, 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_Tb5(Tm5Bi4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16688065
_cell_length_b   9.35961124
_cell_length_c   11.93693194
_cell_angle_alpha   89.97003269
_cell_angle_beta   90.04675966
_cell_angle_gamma   90.07230803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5(Tm5Bi4)3
_chemical_formula_sum   'Tb5 Tm15 Bi12'
_cell_volume   912.44393277
_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  0.19179533  0.56224318  0.43922516  1.0
  Tb  Tb1  1  0.31737154  0.25012612  0.21692766  1.0
  Tb  Tb2  1  0.81801190  0.25024042  0.28295315  1.0
  Tb  Tb3  1  0.68265792  0.75050896  0.78328233  1.0
  Tb  Tb4  1  0.18250828  0.74998683  0.71740503  1.0
  Tm  Tm5  1  0.35501741  0.75024455  0.21629491  1.0
  Tm  Tm6  1  0.85309398  0.75016175  0.28305649  1.0
  Tm  Tm7  1  0.64629979  0.25078357  0.78348616  1.0
  Tm  Tm8  1  0.14671200  0.25188660  0.71697989  1.0
  Tm  Tm9  1  0.69197632  0.56579319  0.06044318  1.0
  Tm  Tm10  1  0.19206115  0.93306295  0.43865043  1.0
  Tm  Tm11  1  0.30767236  0.06581915  0.93899633  1.0
  Tm  Tm12  1  0.80882770  0.43421809  0.56054234  1.0
  Tm  Tm13  1  0.30838280  0.43485907  0.93919124  1.0
  Tm  Tm14  1  0.80598514  0.06470371  0.56181063  1.0
  Tm  Tm15  1  0.69237131  0.93478913  0.06075778  1.0
  Tm  Tm16  1  0.47772612  0.25001739  0.48902374  1.0
  Tm  Tm17  1  0.97789603  0.25053214  0.01080056  1.0
  Tm  Tm18  1  0.52275682  0.75017822  0.51112921  1.0
  Tm  Tm19  1  0.02224311  0.75040433  0.98862354  1.0
  Bi  Bi20  1  0.40398954  0.75047072  0.96069428  1.0
  Bi  Bi21  1  0.90332476  0.75076844  0.53961349  1.0
  Bi  Bi22  1  0.59584945  0.25006280  0.03911274  1.0
  Bi  Bi23  1  0.09459287  0.24504747  0.46184160  1.0
  Bi  Bi24  1  0.56581203  0.99501163  0.32711395  1.0
  Bi  Bi25  1  0.06563669  0.50583567  0.17203759  1.0
  Bi  Bi26  1  0.43457423  0.49493589  0.67306535  1.0
  Bi  Bi27  1  0.93432524  0.00641862  0.82712254  1.0
  Bi  Bi28  1  0.43404775  0.00587631  0.67301850  1.0
  Bi  Bi29  1  0.93352351  0.49495602  0.82746264  1.0
  Bi  Bi30  1  0.56717809  0.50546782  0.32703907  1.0
  Bi  Bi31  1  0.06577680  0.99458826  0.17229750  1.0

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