Tb3(Pr2Ag5)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3293729 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

Tb3(Pr2Ag5)2

MP-ID

mp-3293729

Elements

Sites

Density

8.6890

g/cm³

Volume

809.95

Å³

Cell a

8.8978

Cell b

8.8978

Cell c

10.6674

α Angle

90.00

β Angle

90.00

γ Angle

106.46

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

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
23.61	3.7689	2.0	(1,1,2)
24.99	3.5637	1.6	(2,-2,0)
30.16	2.9632	2.2	(2,-2,2)
30.17	2.9619	2.4	(3,-1,0)
30.22	2.9574	1.9	(1,1,3)
30.90	2.8942	1.5	(1,2,2)
30.90	2.8942	1.5	(2,1,2)
31.34	2.8539	1.8	(3,-1,1)
32.56	2.7504	12.8	(1,-2,3)
32.56	2.7504	12.8	(2,-1,3)
32.58	2.7484	27.7	(3,0,1)
32.79	2.7316	2.4	(0,2,3)
32.79	2.7316	2.4	(2,0,3)
33.61	2.6668	22.7	(0,0,4)
33.61	2.6666	6.7	(3,-2,1)
33.65	2.6632	19.6	(2,2,0)
34.64	2.5894	100.0	(3,-1,2)
34.72	2.5839	9.5	(2,2,1)
35.26	2.5454	8.3	(1,0,4)
35.78	2.5098	6.5	(3,0,2)
35.96	2.4977	8.0	(1,-1,4)
36.00	2.4947	8.5	(3,1,0)
36.31	2.4745	5.7	(1,2,3)
36.31	2.4745	5.7	(2,1,3)

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Energy Properties

Formation Energy/atom

-0.30176

eV/atom

Energy/atom

-25.29316

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.2932

eV/atom

Volume/atom

23.82

Å³

c/a Ratio

1.1989

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0094

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.588

Element Family

4d-TM

Solute Fraction

0.412

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9587

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9706

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.530%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4002

smaller = more stable mixing

VEC

8.765

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8726

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.652

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.588

Related Tasks

Related computation task IDs (1)

aaahfkjx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293729

Reference Citation

The crystal structure and related material properties of Tb3(Pr2Ag5)2 were obtained from the Materials Project database (MP-ID: mp-3293729, 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_Tb3(Pr2Ag5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89782498
_cell_length_b   8.89782544
_cell_length_c   10.66736921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.45776844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3(Pr2Ag5)2
_chemical_formula_sum   'Tb6 Pr8 Ag20'
_cell_volume   809.94722861
_cell_formula_units_Z   2
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  0.01010583  0.51010583  0.25000000  1.0
  Tb  Tb1  1  0.98989417  0.48989417  0.75000000  1.0
  Tb  Tb2  1  0.48989417  0.98989417  0.75000000  1.0
  Tb  Tb3  1  0.51010583  0.01010583  0.25000000  1.0
  Tb  Tb4  1  0.00000000  0.00000000  0.00000000  1.0
  Tb  Tb5  1  0.50000000  0.50000000  0.50000000  1.0
  Pr  Pr6  1  0.70055567  0.29944433  0.00000000  1.0
  Pr  Pr7  1  0.29944433  0.70055567  0.00000000  1.0
  Pr  Pr8  1  0.79944433  0.20055567  0.50000000  1.0
  Pr  Pr9  1  0.20055567  0.79944433  0.50000000  1.0
  Pr  Pr10  1  0.30449186  0.30449186  0.19932571  1.0
  Pr  Pr11  1  0.69550814  0.69550814  0.80067429  1.0
  Pr  Pr12  1  0.19550814  0.19550814  0.69932571  1.0
  Pr  Pr13  1  0.80449186  0.80449186  0.30067429  1.0
  Ag  Ag14  1  0.10089457  0.10089457  0.40344476  1.0
  Ag  Ag15  1  0.89910543  0.89910543  0.59655524  1.0
  Ag  Ag16  1  0.39910543  0.39910543  0.90344476  1.0
  Ag  Ag17  1  0.60089457  0.60089457  0.09655524  1.0
  Ag  Ag18  1  0.87830233  0.16000611  0.20893870  1.0
  Ag  Ag19  1  0.12169767  0.83999389  0.79106130  1.0
  Ag  Ag20  1  0.62169767  0.33999389  0.70893870  1.0
  Ag  Ag21  1  0.66000611  0.37830233  0.29106130  1.0
  Ag  Ag22  1  0.37830233  0.66000611  0.29106130  1.0
  Ag  Ag23  1  0.33999389  0.62169767  0.70893870  1.0
  Ag  Ag24  1  0.83999389  0.12169767  0.79106130  1.0
  Ag  Ag25  1  0.16000611  0.87830233  0.20893870  1.0
  Ag  Ag26  1  0.93370670  0.64836578  0.00896694  1.0
  Ag  Ag27  1  0.06629330  0.35163422  0.99103306  1.0
  Ag  Ag28  1  0.56629330  0.85163422  0.50896694  1.0
  Ag  Ag29  1  0.14836578  0.43370670  0.49103306  1.0
  Ag  Ag30  1  0.43370670  0.14836578  0.49103306  1.0
  Ag  Ag31  1  0.85163422  0.56629330  0.50896694  1.0
  Ag  Ag32  1  0.35163422  0.06629330  0.99103306  1.0
  Ag  Ag33  1  0.64836578  0.93370670  0.00896694  1.0

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