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K2MnTe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-8719 · Space group: Ibam (#72)

Basic Information

Formula
K2MnTe2
MP-ID
mp-8719
Elements
3
Sites
10
Density
3.4860
g/cm³
Volume
369.96
ų
Cell a
6.9778
Å
Cell b
7.4541
Å
Cell c
8.7549
Å
α Angle
115.19
°
β Angle
113.49
°
γ Angle
90.00
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.44 7.1128 42.9 (0,0,1)
13.41 6.6030 39.3 (0,1,0)
13.41 6.6022 39.1 (0,1,-1)
21.45 4.1417 73.8 (1,1,0)
21.46 4.1413 36.9 (1,1,-2)
21.46 4.1413 36.9 (1,-1,1)
22.22 4.0012 4.4 (0,1,1)
22.22 4.0007 4.5 (0,1,-2)
23.88 3.7270 44.0 (0,2,-1)
25.04 3.5564 62.1 (0,0,2)
25.53 3.4889 74.3 (2,0,-1)
27.85 3.2032 16.3 (1,2,-1)
27.85 3.2032 16.3 (1,-2,0)
27.85 3.2030 16.2 (1,2,-2)
27.85 3.2030 16.2 (1,-2,1)
30.66 2.9162 20.1 (1,-1,-2)
30.66 2.9159 20.2 (1,1,-3)
33.16 2.7019 12.5 (1,2,0)
33.16 2.7019 12.5 (1,-2,-1)
33.16 2.7015 24.8 (1,2,-3)
34.10 2.6296 3.2 (2,1,0)
34.10 2.6295 3.1 (2,1,-3)
34.87 2.5732 34.9 (0,2,1)
34.87 2.5728 35.0 (0,2,-3)
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Energy Properties

Formation Energy/atom
-1.10021
eV/atom
Energy/atom
-16.61107
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.6111
eV/atom
Volume/atom
37.00
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
10.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.027030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.400
Element Family
Alkali-AlkEarth
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
24.549%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5736
smaller = more stable mixing
VEC
3.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.415
Family
K-rich Multi-Component
Matrix Element
K · 0.400

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8719
Reference Citation

The crystal structure and related material properties of K2MnTe2 were obtained from the Materials Project database (MP-ID: mp-8719, 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_K2MnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97782886
_cell_length_b   7.45405550
_cell_length_c   8.75485466
_cell_angle_alpha   115.18792957
_cell_angle_beta   113.48519165
_cell_angle_gamma   89.99999598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnTe2
_chemical_formula_sum   'K4 Mn2 Te4'
_cell_volume   369.95968089
_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
  K  K0  1  0.14286698  0.46599712  0.28573397  1.0
  K  K1  1  0.85713302  0.53400288  0.71426603  1.0
  K  K2  1  0.35709791  0.18021354  0.71419582  1.0
  K  K3  1  0.64290209  0.81978646  0.28580418  1.0
  Mn  Mn4  1  0.25003265  -0.00000000  -0.00000000  1.0
  Mn  Mn5  1  0.74996735  -0.00000000  0.00000000  1.0
  Te  Te6  1  0.89158882  0.09142585  0.78317665  1.0
  Te  Te7  1  0.10841118  0.90857415  0.21682335  1.0
  Te  Te8  1  0.60821861  0.30826509  0.21643721  1.0
  Te  Te9  1  0.39178139  0.69173491  0.78356279  1.0
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