Tb13Tm7(Bi2Os)4

High-Entropy Materials HEA

MP-ID: mp-3292102 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb13Tm7(Bi2Os)4

MP-ID

mp-3292102

Elements

Sites

Density

10.5259

g/cm³

Volume

896.27

Å³

Cell a

7.9491

Cell b

8.9633

Cell c

12.5792

α Angle

89.94

β Angle

90.09

γ Angle

90.08

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
13.17	6.7244	3.4	(1,0,-1)
13.18	6.7153	3.0	(1,0,1)
14.08	6.2896	7.2	(0,0,2)
14.89	5.9513	4.8	(1,-1,0)
14.91	5.9432	4.3	(1,1,0)
17.97	4.9360	1.2	(1,0,-2)
18.00	4.9288	1.3	(1,0,2)
20.53	4.3267	1.2	(1,-1,-2)
20.56	4.3208	1.2	(1,1,-2)
20.56	4.3191	1.3	(1,-1,2)
22.37	3.9745	23.2	(2,0,0)
23.46	3.7915	1.8	(2,0,-1)
23.48	3.7882	1.7	(2,0,1)
23.84	3.7322	4.3	(1,-2,-1)
23.86	3.7289	4.5	(1,-2,1)
23.88	3.7266	4.4	(1,2,1)
23.88	3.7264	4.3	(1,2,-1)
23.98	3.7110	19.4	(1,0,-3)
24.01	3.7064	19.2	(1,0,3)
24.38	3.6515	3.7	(0,2,2)
24.40	3.6482	3.6	(0,2,-2)
26.85	3.3207	7.7	(1,-2,-2)
26.89	3.3160	7.8	(1,-2,2)
26.89	3.3157	7.9	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.74652

eV/atom

Energy/atom

-42.36371

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-42.3637

eV/atom

Volume/atom

28.01

Å³

c/a Ratio

1.5825

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.4866

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000540

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.406

Element Family

Lanthanide

Solute Fraction

0.594

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3049

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8490

J/mol·K

Ω Parameter

4.5771

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.063%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4555

smaller = more stable mixing

VEC

8.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.814

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9413

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfhzi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292102

Reference Citation

The crystal structure and related material properties of Tb13Tm7(Bi2Os)4 were obtained from the Materials Project database (MP-ID: mp-3292102, 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_Tb13Tm7(Bi2Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94910316
_cell_length_b   8.96331358
_cell_length_c   12.57922579
_cell_angle_alpha   89.94473526
_cell_angle_beta   90.08625826
_cell_angle_gamma   90.07946204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb13Tm7(Bi2Os)4
_chemical_formula_sum   'Tb13 Tm7 Bi8 Os4'
_cell_volume   896.27137243
_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  0.84166610  0.75087687  0.79523210  1.0
  Tb  Tb1  1  0.15872185  0.24974812  0.20527991  1.0
  Tb  Tb2  1  0.34153162  0.25009000  0.70499745  1.0
  Tb  Tb3  1  0.65892104  0.74989561  0.29420294  1.0
  Tb  Tb4  1  0.37152860  0.74918649  0.68632519  1.0
  Tb  Tb5  1  0.62824340  0.25039329  0.31307150  1.0
  Tb  Tb6  1  0.87056751  0.24838199  0.81262730  1.0
  Tb  Tb7  1  0.12758946  0.75173548  0.18765577  1.0
  Tb  Tb8  1  0.94020421  0.74998688  0.50427878  1.0
  Tb  Tb9  1  0.05912667  0.25024281  0.49576599  1.0
  Tb  Tb10  1  0.44297198  0.24835725  0.99557427  1.0
  Tb  Tb11  1  0.56010196  0.75101371  0.00446487  1.0
  Tb  Tb12  1  0.17374905  0.53617435  0.93440263  1.0
  Tm  Tm13  1  0.66914790  0.03655538  0.56652585  1.0
  Tm  Tm14  1  0.33057999  0.96344906  0.43314301  1.0
  Tm  Tm15  1  0.16871576  0.96355993  0.93438003  1.0
  Tm  Tm16  1  0.33048559  0.53673851  0.43316312  1.0
  Tm  Tm17  1  0.83039237  0.03770146  0.06682022  1.0
  Tm  Tm18  1  0.66936730  0.46321726  0.56635220  1.0
  Tm  Tm19  1  0.82995794  0.46325127  0.06633317  1.0
  Bi  Bi20  1  0.56297754  0.49449386  0.82722117  1.0
  Bi  Bi21  1  0.43883840  0.50497969  0.17154911  1.0
  Bi  Bi22  1  0.05963762  0.50462338  0.67228638  1.0
  Bi  Bi23  1  0.43993354  0.99532544  0.17266363  1.0
  Bi  Bi24  1  0.93959537  0.49514516  0.32750945  1.0
  Bi  Bi25  1  0.55888401  0.00416924  0.82695058  1.0
  Bi  Bi26  1  0.93883328  0.00539279  0.32815725  1.0
  Bi  Bi27  1  0.06080655  0.99491094  0.67218447  1.0
  Os  Os28  1  0.56611338  0.74991716  0.50604773  1.0
  Os  Os29  1  0.43375330  0.25000107  0.49331375  1.0
  Os  Os30  1  0.06540934  0.24908036  0.99356051  1.0
  Os  Os31  1  0.93164536  0.75140619  0.00795663  1.0

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