TbNp2(SnRh)3

High-Entropy Materials HEA

MP-ID: mp-3246843 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

TbNp2(SnRh)3

MP-ID

mp-3246843

Elements

Sites

Density

11.2014

g/cm³

Volume

192.39

Å³

Cell a

7.5174

Cell b

7.5174

Cell c

3.9577

α Angle

90.00

β Angle

90.00

γ Angle

120.66

Space Group

Amm2

Point Group

mm2

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
13.56	6.5318	6.1	(1,-1,0,0)
13.69	6.4665	1.1	(1,0,-1,0)
22.47	3.9577	2.9	(0,0,0,1)
23.67	3.7584	6.8	(2,-1,-1,0)
23.91	3.7211	3.9	(1,1,-2,0)
26.33	3.3848	3.4	(1,-1,0,1)
27.31	3.2659	6.0	(2,-2,0,0)
27.59	3.2332	7.1	(2,0,-2,0)
27.59	3.2332	7.1	(0,2,-2,0)
32.86	2.7253	100.0	(2,-1,-1,1)
33.04	2.7110	51.2	(1,1,-2,1)
35.64	2.5190	41.1	(2,-2,0,1)
35.86	2.5039	97.6	(2,0,-2,1)
36.45	2.4652	32.0	(3,-2,-1,0)
36.61	2.4546	11.0	(3,-1,-2,0)
36.61	2.4546	11.0	(1,-3,2,0)
36.88	2.4372	9.9	(2,1,-3,0)
36.88	2.4372	9.9	(1,2,-3,0)
41.47	2.1773	11.2	(3,-3,0,0)
41.91	2.1555	28.5	(3,0,-3,0)
43.24	2.0925	12.0	(3,-2,-1,1)
43.38	2.0860	3.2	(3,-1,-2,1)
43.61	2.0752	6.6	(2,1,-3,1)
45.86	1.9788	36.4	(0,0,0,2)

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Energy Properties

Formation Energy/atom

-0.85658

eV/atom

Energy/atom

-39.07014

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.0701

eV/atom

Volume/atom

21.38

Å³

c/a Ratio

0.5265

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.3033

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.037960

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3108

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8979

J/mol·K

Ω Parameter

4.8444

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.969%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4259

smaller = more stable mixing

VEC

6.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

2.918

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9455

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahctap

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3246843

Reference Citation

The crystal structure and related material properties of TbNp2(SnRh)3 were obtained from the Materials Project database (MP-ID: mp-3246843, 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_TbNp2(SnRh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51739020
_cell_length_b   7.51738903
_cell_length_c   3.95768375
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.66109040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNp2(SnRh)3
_chemical_formula_sum   'Tb1 Np2 Sn3 Rh3'
_cell_volume   192.38625058
_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  0.58913912  0.58913912  0.50000000  1.0
  Np  Np1  1  0.41742591  0.00426397  0.50000000  1.0
  Np  Np2  1  0.00426397  0.41742591  0.50000000  1.0
  Sn  Sn3  1  0.74363330  0.99426862  0.00000000  1.0
  Sn  Sn4  1  0.99426862  0.74363330  0.00000000  1.0
  Sn  Sn5  1  0.25782221  0.25782221  0.00000000  1.0
  Rh  Rh6  1  0.32642775  0.66613262  0.00000000  1.0
  Rh  Rh7  1  0.66613262  0.32642775  0.00000000  1.0
  Rh  Rh8  1  0.00088750  0.00088750  0.50000000  1.0

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