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YErMn17

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296345 · Space group: R3m (#160)

Basic Information

Formula
YErMn17
MP-ID
mp-3296345
Elements
3
Sites
19
Density
6.4638
g/cm³
Volume
305.74
ų
Cell a
6.7507
Å
Cell b
6.7507
Å
Cell c
6.7507
Å
α Angle
86.24
°
β Angle
86.24
°
γ Angle
86.24
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
No
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
13.17 6.7234 8.3 (1,0,0)
18.08 4.9077 3.9 (1,0,1)
18.08 4.9077 2.0 (1,1,0)
19.24 4.6141 1.8 (1,0,-1)
23.38 3.8044 11.8 (1,1,-1)
26.51 3.3617 3.2 (2,0,0)
28.95 3.0837 32.6 (2,1,0)
30.45 2.9353 15.6 (2,0,-1)
30.86 2.8976 11.3 (1,2,1)
30.86 2.8976 5.6 (2,1,1)
32.97 2.7171 8.5 (2,1,-1)
33.64 2.6640 55.3 (2,-1,-1)
36.62 2.4539 57.8 (2,2,0)
37.88 2.3750 1.8 (2,2,1)
39.04 2.3071 94.4 (2,0,-2)
40.24 2.2411 100.0 (2,-1,2)
40.24 2.2411 19.6 (2,2,-1)
41.69 2.1665 31.6 (3,1,0)
42.82 2.1117 11.3 (1,3,1)
42.82 2.1117 5.7 (3,1,1)
43.34 2.0879 1.7 (3,0,-1)
43.67 2.0728 29.1 (2,2,2)
44.97 2.0159 19.5 (3,-1,1)
44.97 2.0159 19.5 (3,1,-1)
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Energy Properties

Formation Energy/atom
0.16033
eV/atom
Energy/atom
-15.83208
eV/atom
Energy above Hull
0.1807
eV/atom
Uncorrected Energy
-15.8321
eV/atom
Volume/atom
16.09
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
60.9642
μB
Mag. Ordering
FiM
Mag. Sites
19
Magnetization/Volume
0.199400
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.895
Element Family
3d-TM
Solute Fraction
0.105
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.4095
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
3.4042
J/mol·K
Ω Parameter
1.4376
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.729%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0983
smaller = more stable mixing
VEC
7.053
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.667
kJ/mol; negative = exothermic mixing
Entropy Norm
0.3727
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.695
Family
Mn-rich Multi-Component
Matrix Element
Mn · 0.895

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3296345
Reference Citation

The crystal structure and related material properties of YErMn17 were obtained from the Materials Project database (MP-ID: mp-3296345, 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_YErMn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75073520
_cell_length_b   6.75073584
_cell_length_c   6.75073574
_cell_angle_alpha   86.23539289
_cell_angle_beta   86.23538910
_cell_angle_gamma   86.23540501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YErMn17
_chemical_formula_sum   'Y1 Er1 Mn17'
_cell_volume   305.73923393
_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
  Y  Y0  1  0.64420228  0.64420228  0.64420228  1.0
  Er  Er1  1  0.35547741  0.35547741  0.35547741  1.0
  Mn  Mn2  1  0.28751787  0.00036522  0.71238155  1.0
  Mn  Mn3  1  0.00036522  0.71238155  0.28751787  1.0
  Mn  Mn4  1  0.71238155  0.28751787  0.00036522  1.0
  Mn  Mn5  1  0.00036522  0.28751787  0.71238155  1.0
  Mn  Mn6  1  0.28751787  0.71238155  0.00036522  1.0
  Mn  Mn7  1  0.71238155  0.00036522  0.28751787  1.0
  Mn  Mn8  1  0.64809114  0.14456429  0.64809114  1.0
  Mn  Mn9  1  0.14456429  0.64809114  0.64809114  1.0
  Mn  Mn10  1  0.64809114  0.64809114  0.14456429  1.0
  Mn  Mn11  1  0.35065978  0.85699196  0.35065978  1.0
  Mn  Mn12  1  0.85699196  0.35065978  0.35065978  1.0
  Mn  Mn13  1  0.35065978  0.35065978  0.85699196  1.0
  Mn  Mn14  1  0.99989246  0.50040318  0.99989246  1.0
  Mn  Mn15  1  0.50040318  0.99989246  0.99989246  1.0
  Mn  Mn16  1  0.99989246  0.99989246  0.50040318  1.0
  Mn  Mn17  1  0.10248415  0.10248415  0.10248415  1.0
  Mn  Mn18  1  0.89805969  0.89805969  0.89805969  1.0
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