Navigation

HEAS Data Platform · Materials Science Database

TbErCdNi2

High-Entropy Materials HEA

MP-ID: mp-3247785 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
TbErCdNi2
MP-ID
mp-3247785
Elements
4
Sites
5
Density
9.3060
g/cm³
Volume
99.21
ų
Cell a
7.3630
Å
Cell b
7.3630
Å
Cell c
3.5655
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
149.12
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.47 7.0973 5.6 (1,-1,0)
23.54 3.7790 1.3 (1,0,0)
23.54 3.7790 1.3 (0,1,0)
24.97 3.5655 2.4 (0,0,1)
25.09 3.5486 9.2 (2,-2,0)
28.01 3.1860 2.8 (1,-1,1)
29.59 3.0188 47.8 (2,-1,0)
34.59 2.5934 100.0 (1,0,1)
35.70 2.5152 73.4 (2,-2,1)
38.04 2.3658 14.8 (3,-3,0)
39.10 2.3039 19.9 (2,-1,1)
39.10 2.3039 19.9 (1,-2,1)
39.18 2.2994 16.9 (3,-2,0)
39.18 2.2994 16.9 (2,-3,0)
46.32 1.9602 26.8 (1,1,0)
47.02 1.9324 2.8 (3,-2,1)
47.02 1.9324 2.8 (2,-3,1)
50.68 1.8011 12.4 (4,-3,0)
51.24 1.7828 19.8 (0,0,2)
51.51 1.7743 4.1 (4,-4,0)
53.40 1.7159 2.5 (3,-1,0)
57.31 1.6077 9.7 (4,-3,1)
57.31 1.6077 9.7 (3,-4,1)
57.89 1.5930 2.0 (2,-2,2)
Get direct link

Energy Properties

Formation Energy/atom
-0.44837
eV/atom
Energy/atom
-22.29242
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.2924
eV/atom
Volume/atom
19.84
ų
c/a Ratio
0.4842

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
18.2356
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.231%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3392
smaller = more stable mixing
VEC
10.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.909
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcukv

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3247785
Reference Citation

The crystal structure and related material properties of TbErCdNi2 were obtained from the Materials Project database (MP-ID: mp-3247785, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_TbErCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36300837
_cell_length_b   7.36300798
_cell_length_c   3.56549135
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   149.12022470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbErCdNi2
_chemical_formula_sum   'Tb1 Er1 Cd1 Ni2'
_cell_volume   99.20853535
_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  0.36154758  0.63845242  0.50000000  1.0
  Er  Er1  1  0.63969158  0.36030842  0.50000000  1.0
  Cd  Cd2  1  0.00155214  0.99844786  0.00000000  1.0
  Ni  Ni3  1  0.79848167  0.20151833  0.00000000  1.0
  Ni  Ni4  1  0.19872703  0.80127297  0.00000000  1.0
Get direct link