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Er6Mn4AlOs7

High-Entropy Materials HEA

MP-ID: mp-3297090 · Space group: P1 (#1)

Basic Information

Formula
Er6Mn4AlOs7
MP-ID
mp-3297090
Elements
4
Sites
18
Density
13.4819
g/cm³
Volume
318.01
ų
Cell a
5.3144
Å
Cell b
5.3441
Å
Cell c
13.0067
Å
α Angle
90.12
°
β Angle
90.12
°
γ Angle
120.58
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic 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
6.80 13.0065 34.5 (0,0,1)
13.62 6.5033 8.9 (0,0,2)
19.17 4.6287 3.1 (1,-1,0)
19.29 4.6007 11.1 (0,1,0)
19.40 4.5750 11.8 (1,0,0)
20.37 4.3608 42.6 (1,-1,-1)
20.37 4.3607 2.7 (1,-1,1)
20.49 4.3355 10.8 (0,0,3)
20.50 4.3323 9.7 (0,1,1)
20.56 4.3208 8.8 (1,0,-1)
23.59 3.7711 1.8 (1,-1,-2)
23.65 3.7624 6.2 (0,1,-2)
23.73 3.7494 15.0 (0,1,2)
23.74 3.7484 10.9 (1,0,-2)
23.82 3.7354 6.5 (1,0,2)
27.43 3.2516 1.2 (0,0,4)
28.20 3.1642 1.5 (1,-1,3)
28.23 3.1611 4.1 (0,1,-3)
28.31 3.1528 3.1 (1,0,-3)
28.34 3.1495 2.4 (0,1,3)
28.41 3.1412 6.0 (1,0,3)
33.54 2.6720 78.0 (1,-2,0)
33.68 2.6608 50.2 (1,-1,-4)
33.69 2.6607 1.0 (1,-1,4)
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Energy Properties

Formation Energy/atom
-0.44321
eV/atom
Energy/atom
-35.99403
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.9940
eV/atom
Volume/atom
17.67
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
5.7602
μB
Mag. Ordering
FiM
Mag. Sites
11
Magnetization/Volume
0.018110
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.389
Element Family
5d-TM
Solute Fraction
0.611
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2283
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2122
J/mol·K
Ω Parameter
2.7988
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.726%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4162
smaller = more stable mixing
VEC
8.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.304
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8860
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297090
Reference Citation

The crystal structure and related material properties of Er6Mn4AlOs7 were obtained from the Materials Project database (MP-ID: mp-3297090, 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_Er6Mn4AlOs7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31434844
_cell_length_b   5.34413924
_cell_length_c   13.00665905
_cell_angle_alpha   90.12016448
_cell_angle_beta   90.12087093
_cell_angle_gamma   120.58335593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er6Mn4AlOs7
_chemical_formula_sum   'Er6 Mn4 Al1 Os7'
_cell_volume   318.00740287
_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  0.34144524  0.67812876  0.91897469  1.0
  Er  Er1  1  0.99124631  0.99490298  0.25338359  1.0
  Er  Er2  1  0.66072110  0.33392680  0.58091871  1.0
  Er  Er3  1  0.32861607  0.65728162  0.66105927  1.0
  Er  Er4  1  0.00838119  0.00537633  0.00093307  1.0
  Er  Er5  1  0.66794751  0.32952156  0.33331875  1.0
  Mn  Mn6  1  0.49466250  0.49742319  0.12565846  1.0
  Mn  Mn7  1  0.16936333  0.83689350  0.45793574  1.0
  Mn  Mn8  1  0.83624253  0.16708101  0.79196924  1.0
  Mn  Mn9  1  0.49667834  0.99845795  0.12630759  1.0
  Al  Al10  1  0.33837468  0.16908641  0.79257641  1.0
  Os  Os11  1  0.16585032  0.33555386  0.45620967  1.0
  Os  Os12  1  0.83691973  0.66657568  0.79173663  1.0
  Os  Os13  1  0.32475659  0.65977826  0.28989925  1.0
  Os  Os14  1  0.99685530  0.99208611  0.62757038  1.0
  Os  Os15  1  0.67567789  0.34283915  0.95914889  1.0
  Os  Os16  1  0.99499806  0.49765988  0.12304094  1.0
  Os  Os17  1  0.67126531  0.83743096  0.45935672  1.0
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