Navigation

HEAS Data Platform · Materials Science Database

Tc2SnP

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3254433 · Space group: Pmmn (#59)

Basic Information

Formula
Tc2SnP
MP-ID
mp-3254433
Elements
3
Sites
8
Density
8.7778
g/cm³
Volume
130.79
ų
Cell a
3.1767
Å
Cell b
6.2321
Å
Cell c
6.6065
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmn
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic 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
19.58 4.5333 2.2 (0,1,1)
28.65 3.1160 3.4 (0,2,0)
30.63 2.9186 22.5 (0,1,2)
31.24 2.8629 38.7 (1,0,1)
31.61 2.8302 18.6 (1,1,0)
31.75 2.8183 59.1 (0,2,1)
34.48 2.6015 66.7 (1,1,1)
39.35 2.2897 43.5 (1,0,2)
39.77 2.2667 71.8 (0,2,2)
40.98 2.2022 34.5 (0,0,3)
42.04 2.1492 12.3 (1,1,2)
42.90 2.1082 100.0 (1,2,1)
43.59 2.0764 4.3 (0,1,3)
49.39 1.8451 11.6 (1,2,2)
50.42 1.8098 21.3 (1,0,3)
50.77 1.7984 7.8 (0,2,3)
52.00 1.7585 4.0 (0,3,2)
52.64 1.7386 3.4 (1,3,0)
52.66 1.7380 6.5 (1,1,3)
54.58 1.6814 19.6 (1,3,1)
57.75 1.5965 7.5 (0,1,4)
58.07 1.5883 22.9 (2,0,0)
59.02 1.5650 2.8 (1,2,3)
59.31 1.5580 21.4 (0,4,0)
Get direct link

Energy Properties

Formation Energy/atom
-0.36861
eV/atom
Energy/atom
-21.78801
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.7880
eV/atom
Volume/atom
16.35
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0030
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.250

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
1.6434
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.050%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1195
smaller = more stable mixing
VEC
4.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-7.472
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.509
Family
Interstitial Alloy
Matrix Element
Tc · 0.500

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3254433
Reference Citation

The crystal structure and related material properties of Tc2SnP were obtained from the Materials Project database (MP-ID: mp-3254433, 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_Tc2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17664861
_cell_length_b   6.23207092
_cell_length_c   6.60649499
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2SnP
_chemical_formula_sum   'Tc4 Sn2 P2'
_cell_volume   130.78943819
_cell_formula_units_Z   2
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
  Tc  Tc0  1  0.50000000  0.24694079  0.18446570  1.0
  Tc  Tc1  1  0.50000000  0.75305921  0.18446570  1.0
  Tc  Tc2  1  0.00000000  0.25306021  0.81553430  1.0
  Tc  Tc3  1  0.00000000  0.74694179  0.81553430  1.0
  Sn  Sn4  1  0.00000000  0.50000100  0.45043003  1.0
  Sn  Sn5  1  0.50000000  0.00000000  0.54957097  1.0
  P  P6  1  0.00000000  0.00000000  0.07677795  1.0
  P  P7  1  0.50000000  0.50000100  0.92322305  1.0
Get direct link