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Tb7Nd3(InSb)4

High-Entropy Materials HEA

MP-ID: mp-3296049 · Space group: P1 (#1)

Basic Information

Formula
Tb7Nd3(InSb)4
MP-ID
mp-3296049
Elements
4
Sites
18
Density
7.8206
g/cm³
Volume
529.02
ų
Cell a
9.1194
Å
Cell b
8.6161
Å
Cell c
8.2268
Å
α Angle
89.78
°
β Angle
90.08
°
γ Angle
125.07
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.27 7.8503 16.5 (1,-1,0)
16.03 5.5306 2.6 (1,0,1)
16.04 5.5247 2.4 (1,0,-1)
21.60 4.1133 2.0 (0,0,2)
21.75 4.0858 1.8 (1,1,0)
22.65 3.9252 2.8 (2,-2,0)
23.84 3.7317 1.6 (2,0,0)
24.30 3.6634 22.5 (1,1,1)
24.35 3.6554 21.8 (1,1,-1)
24.70 3.6041 3.7 (1,0,2)
24.72 3.6008 4.6 (1,0,-2)
25.02 3.5588 7.9 (0,1,2)
25.10 3.5473 6.9 (0,1,-2)
25.26 3.5257 3.8 (0,2,0)
26.21 3.3998 2.7 (2,0,1)
26.23 3.3971 2.9 (2,0,-1)
27.49 3.2450 34.0 (0,2,1)
27.56 3.2363 35.8 (0,2,-1)
29.24 3.0538 47.6 (2,-1,-2)
29.28 3.0504 44.9 (2,-1,2)
30.09 2.9698 100.0 (1,-2,-2)
30.21 2.9582 97.5 (1,-2,2)
30.47 2.9339 46.7 (3,-1,0)
30.80 2.9028 64.2 (1,1,2)
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Energy Properties

Formation Energy/atom
-0.96753
eV/atom
Energy/atom
-28.74413
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.7441
eV/atom
Volume/atom
29.39
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.0001
μB
Mag. Ordering
FM
Mag. Sites
10
Magnetization/Volume
0.003780
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.389
Element Family
Lanthanide
Solute Fraction
0.611
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3344
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0942
J/mol·K
Ω Parameter
1.0430
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.084%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4093
smaller = more stable mixing
VEC
5.778
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-12.189
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9626
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296049
Reference Citation

The crystal structure and related material properties of Tb7Nd3(InSb)4 were obtained from the Materials Project database (MP-ID: mp-3296049, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Tb7Nd3(InSb)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11939517
_cell_length_b   8.61605188
_cell_length_c   8.22675109
_cell_angle_alpha   89.78115253
_cell_angle_beta   90.07578913
_cell_angle_gamma   125.07372855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7Nd3(InSb)4
_chemical_formula_sum   'Tb7 Nd3 In4 Sb4'
_cell_volume   529.01983303
_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  0.78445488  0.51969854  0.16051906  1.0
  Tb  Tb1  1  0.54974360  0.83238763  0.17545252  1.0
  Tb  Tb2  1  0.21443470  0.47946503  0.83868002  1.0
  Tb  Tb3  1  0.71625147  0.98216882  0.65958467  1.0
  Tb  Tb4  1  0.28520521  0.02062807  0.33954697  1.0
  Tb  Tb5  1  0.00002995  0.99972972  0.00067786  1.0
  Tb  Tb6  1  0.50072495  0.50150398  0.49987619  1.0
  Nd  Nd7  1  0.05084901  0.34350884  0.32035355  1.0
  Nd  Nd8  1  0.95026548  0.66110761  0.67877427  1.0
  Nd  Nd9  1  0.44845042  0.15899573  0.82180438  1.0
  In  In10  1  0.37360336  0.37623849  0.12764741  1.0
  In  In11  1  0.62667762  0.62647770  0.87309317  1.0
  In  In12  1  0.12567178  0.12543102  0.62614297  1.0
  In  In13  1  0.87154402  0.87582698  0.37048557  1.0
  Sb  Sb14  1  0.80968362  0.21652980  0.97609978  1.0
  Sb  Sb15  1  0.18874233  0.77472952  0.03212298  1.0
  Sb  Sb16  1  0.68518637  0.27958091  0.47359289  1.0
  Sb  Sb17  1  0.31848025  0.72599261  0.52554375  1.0
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