Er4MnOs7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3294867 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Er4MnOs7

MP-ID

mp-3294867

Elements

Sites

Density

16.1661

g/cm³

Volume

211.14

Å³

Cell a

5.2880

Cell b

5.2880

Cell c

8.7190

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
10.15	8.7190	5.7	(0,0,0,1)
19.38	4.5796	1.1	(1,0,-1,0)
20.37	4.3595	16.1	(0,0,0,2)
21.92	4.0543	11.3	(1,0,-1,1)
28.26	3.1576	2.3	(1,-1,0,2)
28.26	3.1576	1.1	(1,0,-1,2)
30.76	2.9063	1.1	(0,0,0,3)
33.90	2.6440	20.3	(2,-1,-1,0)
35.48	2.5302	2.4	(2,-1,-1,1)
36.62	2.4539	94.0	(1,0,-1,3)
39.35	2.2898	6.6	(2,-2,0,0)
39.35	2.2898	13.2	(2,0,-2,0)
39.88	2.2607	100.0	(2,-1,-1,2)
40.74	2.2147	42.2	(2,-2,0,1)
40.74	2.2147	84.3	(2,0,-2,1)
41.42	2.1797	22.0	(0,0,0,4)
44.70	2.0272	22.6	(2,0,-2,2)
46.12	1.9682	3.9	(1,-1,0,4)
46.12	1.9682	7.7	(1,0,-1,4)
46.43	1.9558	1.4	(2,-1,-1,3)
50.76	1.7986	8.6	(2,0,-2,3)
54.01	1.6978	1.4	(3,-1,-2,1)
54.56	1.6819	1.2	(2,-1,-1,4)
57.27	1.6087	3.0	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

-0.44340

eV/atom

Energy/atom

-43.88354

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.8835

eV/atom

Volume/atom

17.60

Å³

c/a Ratio

1.6488

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6346

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.017210

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.583

Element Family

5d-TM

Solute Fraction

0.417

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8877

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3803

J/mol·K

Ω Parameter

5.1111

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.170%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4499

smaller = more stable mixing

VEC

9.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.835

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8080

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.525

Family

Os-rich Multi-Component

Matrix Element

Os · 0.583

Related Tasks

Related computation task IDs (1)

aaahfmbr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294867

Reference Citation

The crystal structure and related material properties of Er4MnOs7 were obtained from the Materials Project database (MP-ID: mp-3294867, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Er4MnOs7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28801110
_cell_length_b   5.28801135
_cell_length_c   8.71896596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4MnOs7
_chemical_formula_sum   'Er4 Mn1 Os7'
_cell_volume   211.14477103
_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  0.33333300  0.66666700  0.42931281  1.0
  Er  Er1  1  0.66666700  0.33333300  0.57068719  1.0
  Er  Er2  1  0.66666700  0.33333300  0.93436691  1.0
  Er  Er3  1  0.33333300  0.66666700  0.06563309  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1.0
  Os  Os5  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os6  1  0.82869289  0.17130711  0.25135798  1.0
  Os  Os7  1  0.82869289  0.65738478  0.25135798  1.0
  Os  Os8  1  0.34261522  0.17130711  0.25135798  1.0
  Os  Os9  1  0.17130711  0.82869289  0.74864202  1.0
  Os  Os10  1  0.17130711  0.34261522  0.74864202  1.0
  Os  Os11  1  0.65738478  0.82869289  0.74864202  1.0

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