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Er6MnTe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078859 · Space group: P-62m (#189)

Basic Information

Formula
Er6MnTe2
MP-ID
mp-1078859
Elements
3
Sites
9
Density
9.1667
g/cm³
Volume
237.97
ų
Cell a
8.1617
Å
Cell b
8.1617
Å
Cell c
4.1252
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
21.54 4.1252 8.5 (0,0,0,1)
21.78 4.0809 1.4 (1,1,-2,0)
21.78 4.0808 1.4 (1,-2,1,0)
21.78 4.0808 1.4 (2,-1,-1,0)
24.99 3.5628 3.1 (0,1,-1,1)
24.99 3.5628 3.1 (1,0,-1,1)
24.99 3.5628 3.1 (1,-1,0,1)
30.82 2.9011 100.0 (1,1,-2,1)
30.82 2.9011 100.0 (1,-2,1,1)
30.82 2.9011 100.0 (2,-1,-1,1)
33.39 2.6839 52.4 (0,2,-2,1)
33.39 2.6839 52.4 (2,0,-2,1)
33.39 2.6839 52.4 (2,-2,0,1)
33.54 2.6716 29.2 (1,2,-3,0)
33.54 2.6716 29.2 (2,1,-3,0)
33.54 2.6715 29.2 (1,-3,2,0)
33.54 2.6715 29.2 (3,-1,-2,0)
33.54 2.6715 29.2 (2,-3,1,0)
33.54 2.6715 29.2 (3,-2,-1,0)
38.20 2.3561 26.8 (0,3,-3,0)
38.20 2.3561 26.8 (3,0,-3,0)
38.20 2.3561 26.8 (3,-3,0,0)
40.22 2.2424 12.7 (1,2,-3,1)
40.22 2.2424 12.7 (2,1,-3,1)
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Energy Properties

Formation Energy/atom
-0.69874
eV/atom
Energy/atom
-30.59545
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.5955
eV/atom
Volume/atom
26.44
ų
c/a Ratio
0.5054

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.1328
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.004760
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.667
Element Family
Lanthanide
Solute Fraction
0.333
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8487
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.0560
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.660%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3524
smaller = more stable mixing
VEC
9.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7725
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.579
Family
Er-rich Multi-Component
Matrix Element
Er · 0.667

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1078859
Reference Citation

The crystal structure and related material properties of Er6MnTe2 were obtained from the Materials Project database (MP-ID: mp-1078859, 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_Er6MnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16166137
_cell_length_b   8.16166871
_cell_length_c   4.12514764
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99955926
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6MnTe2
_chemical_formula_sum   'Er6 Mn1 Te2'
_cell_volume   237.97404418
_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
  Er  Er0  1  0.39342435  0.00000064  0.50000000  1.0
  Er  Er1  1  0.00000119  0.39342592  0.50000000  1.0
  Er  Er2  1  0.60657309  0.60657274  0.50000000  1.0
  Er  Er3  1  0.76045641  0.00000024  0.00000000  1.0
  Er  Er4  1  0.99999978  0.76045566  0.00000000  1.0
  Er  Er5  1  0.23954516  0.23954535  0.00000000  1.0
  Mn  Mn6  1  0.00000162  0.00000026  0.50000000  1.0
  Te  Te7  1  0.33333322  0.66666412  -0.00000000  1.0
  Te  Te8  1  0.66666418  0.33333507  0.00000000  1.0
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