Tb8Er12Sn5Pb11

High-Entropy Materials HEA

MP-ID: mp-3292651 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Tb8Er12Sn5Pb11

MP-ID

mp-3292651

Elements

Sites

Density

10.0031

g/cm³

Volume

1,021.12

Å³

Cell a

8.0966

Cell b

8.1473

Cell c

15.4798

α Angle

90.00

β Angle

90.00

γ Angle

90.05

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
5.71	15.4798	1.6	(0,0,1)
15.42	5.7457	6.8	(1,-1,0)
15.44	5.7402	4.0	(1,1,0)
16.46	5.3866	2.0	(1,-1,1)
20.37	4.3592	2.2	(0,1,3)
21.82	4.0736	6.2	(0,2,0)
21.96	4.0483	12.7	(2,0,0)
22.70	3.9166	4.8	(2,0,1)
22.98	3.8699	1.2	(0,0,4)
23.17	3.8391	5.7	(1,-1,3)
23.18	3.8374	8.5	(1,1,3)
24.45	3.6404	2.3	(1,-2,0)
24.47	3.6376	2.7	(1,2,0)
24.55	3.6268	5.7	(2,-1,0)
24.56	3.6240	5.3	(2,1,0)
24.70	3.6048	10.9	(0,2,2)
24.82	3.5872	5.0	(2,0,2)
25.13	3.5437	3.7	(1,-2,1)
25.15	3.5411	4.6	(1,2,1)
25.22	3.5312	1.3	(2,-1,1)
25.24	3.5286	2.7	(2,1,1)
27.15	3.2841	16.9	(2,-1,2)
27.17	3.2821	17.9	(2,1,2)
27.79	3.2098	1.7	(1,-1,4)

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Energy Properties

Formation Energy/atom

-0.77617

eV/atom

Energy/atom

-39.65906

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.6591

eV/atom

Volume/atom

28.36

Å³

c/a Ratio

1.9119

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0767

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Er · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.1149

J/mol·K

Ω Parameter

79.6423

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

4.835%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5271

smaller = more stable mixing

VEC

7.778

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.170

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9644

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiul

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292651

Reference Citation

The crystal structure and related material properties of Tb8Er12Sn5Pb11 were obtained from the Materials Project database (MP-ID: mp-3292651, 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_Tb8Er12Sn5Pb11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09657642
_cell_length_b   8.14726200
_cell_length_c   15.47974794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.05472712
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb8Er12Sn5Pb11
_chemical_formula_sum   'Tb8 Er12 Sn5 Pb11'
_cell_volume   1021.12001354
_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  0.53538689  0.32389052  0.89692696  1.0
  Tb  Tb1  1  0.03924601  0.17431880  0.60194581  1.0
  Tb  Tb2  1  0.46250869  0.67398248  0.39879826  1.0
  Tb  Tb3  1  0.96276441  0.82604820  0.10118391  1.0
  Tb  Tb4  1  0.46250869  0.67398248  0.10120174  1.0
  Tb  Tb5  1  0.96276441  0.82604820  0.39881609  1.0
  Tb  Tb6  1  0.53538689  0.32389052  0.60307304  1.0
  Tb  Tb7  1  0.03924601  0.17431880  0.89805419  1.0
  Er  Er8  1  0.37691774  0.84069384  0.87776801  1.0
  Er  Er9  1  0.87711284  0.66052620  0.62239588  1.0
  Er  Er10  1  0.62346111  0.16042677  0.37795121  1.0
  Er  Er11  1  0.12323693  0.33983548  0.12187573  1.0
  Er  Er12  1  0.62346111  0.16042677  0.12204879  1.0
  Er  Er13  1  0.12323693  0.33983548  0.37812427  1.0
  Er  Er14  1  0.37691774  0.84069384  0.62223199  1.0
  Er  Er15  1  0.87711284  0.66052620  0.87760412  1.0
  Er  Er16  1  0.21115863  0.50525578  0.75000000  1.0
  Er  Er17  1  0.70771817  0.99406256  0.75000000  1.0
  Er  Er18  1  0.79039430  0.49291278  0.25000000  1.0
  Er  Er19  1  0.29039043  0.00738317  0.25000000  1.0
  Sn  Sn20  1  0.57247131  0.62844781  0.75000000  1.0
  Sn  Sn21  1  0.07321500  0.87399390  0.75000000  1.0
  Sn  Sn22  1  0.42778017  0.37242441  0.25000000  1.0
  Sn  Sn23  1  0.92775699  0.12793483  0.25000000  1.0
  Sn  Sn24  1  0.34456763  0.14839963  0.75000000  1.0
  Pb  Pb25  1  0.28291202  0.03256731  0.04264055  1.0
  Pb  Pb26  1  0.78184432  0.46760963  0.45803278  1.0
  Pb  Pb27  1  0.71831772  0.96806086  0.54254452  1.0
  Pb  Pb28  1  0.21748262  0.53257497  0.95710482  1.0
  Pb  Pb29  1  0.71831772  0.96806086  0.95745548  1.0
  Pb  Pb30  1  0.21748262  0.53257497  0.54289518  1.0
  Pb  Pb31  1  0.28291202  0.03256731  0.45735945  1.0
  Pb  Pb32  1  0.78184432  0.46760963  0.04196722  1.0
  Pb  Pb33  1  0.84865449  0.34838934  0.75000000  1.0
  Pb  Pb34  1  0.65183116  0.84775436  0.25000000  1.0
  Pb  Pb35  1  0.15168113  0.65196929  0.25000000  1.0

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