Sr5Mn2N7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296861 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Sr5Mn2N7

MP-ID

mp-3296861

Elements

Sites

Density

4.7365

g/cm³

Volume

452.97

Å³

Cell a

6.3183

Cell b

8.8830

Cell c

8.9930

α Angle

114.80

β Angle

97.74

γ Angle

90.22

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

Yes

Packing Fraction

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
11.00	8.0454	3.9	(0,1,0)
17.38	5.1026	4.8	(1,-1,0)
17.76	4.9948	4.3	(1,1,-1)
18.56	4.7811	1.3	(1,1,0)
19.23	4.6157	6.3	(1,0,1)
20.00	4.4392	2.2	(0,1,-2)
22.03	4.0354	1.6	(0,0,2)
24.75	3.5971	13.6	(1,-2,1)
24.89	3.5780	3.7	(1,1,1)
25.52	3.4903	4.9	(1,-2,0)
26.07	3.4175	1.5	(1,-1,2)
26.75	3.3328	12.8	(1,2,-2)
27.16	3.2833	4.1	(1,2,0)
28.07	3.1789	60.3	(1,0,2)
28.58	3.1233	4.1	(2,0,0)
28.65	3.1163	1.3	(0,1,2)
28.68	3.1130	46.8	(1,-2,2)
28.69	3.1120	80.1	(0,2,1)
29.99	2.9798	32.0	(2,-1,0)
30.13	2.9659	35.3	(2,1,-1)
30.18	2.9616	11.0	(1,-1,-2)
30.34	2.9460	45.7	(0,3,-1)
31.26	2.8617	5.6	(0,3,-2)
31.41	2.8479	39.0	(2,1,0)

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Energy Properties

Formation Energy/atom

-0.92001

eV/atom

Energy/atom

-12.99117

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.9912

eV/atom

Volume/atom

16.18

Å³

c/a Ratio

1.4233

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.0027

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.008840

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9923

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2498

J/mol·K

Ω Parameter

0.3001

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

44.900%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9782

smaller = more stable mixing

VEC

4.214

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.143

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9032

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.467

Family

Interstitial Alloy

Matrix Element

N · 0.500

Related Tasks

Related computation task IDs (1)

aaahfpaj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296861

Reference Citation

The crystal structure and related material properties of Sr5Mn2N7 were obtained from the Materials Project database (MP-ID: mp-3296861, 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_Sr5Mn2N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31829003
_cell_length_b   8.88298483
_cell_length_c   8.99294802
_cell_angle_alpha   114.80314901
_cell_angle_beta   97.74444892
_cell_angle_gamma   90.21764986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Mn2N7
_chemical_formula_sum   'Sr10 Mn4 N14'
_cell_volume   452.97110221
_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
  Sr  Sr0  1  0.85514322  0.58764122  0.33244093  1.0
  Sr  Sr1  1  0.27402731  0.98835292  0.57993993  1.0
  Sr  Sr2  1  0.71122739  0.41100958  0.84831584  1.0
  Sr  Sr3  1  0.28877261  0.58899042  0.15168416  1.0
  Sr  Sr4  1  0.40519881  0.78904745  0.91756202  1.0
  Sr  Sr5  1  0.59480119  0.21095255  0.08243798  1.0
  Sr  Sr6  1  0.14485678  0.41235878  0.66755907  1.0
  Sr  Sr7  1  0.88853742  0.84479422  0.76970399  1.0
  Sr  Sr8  1  0.11146258  0.15520578  0.23029601  1.0
  Sr  Sr9  1  0.72597269  0.01164708  0.42006007  1.0
  Mn  Mn10  1  0.57132151  0.36807763  0.47659695  1.0
  Mn  Mn11  1  0.42867849  0.63192237  0.52340305  1.0
  Mn  Mn12  1  0.11890295  0.21709517  0.90647109  1.0
  Mn  Mn13  1  0.88109705  0.78290483  0.09352891  1.0
  N  N14  1  0.55866170  0.55672300  0.66791674  1.0
  N  N15  1  0.44133830  0.44327700  0.33208326  1.0
  N  N16  1  0.18144542  0.68926002  0.57305113  1.0
  N  N17  1  0.81855458  0.31073998  0.42694887  1.0
  N  N18  1  0.42278789  0.20865821  0.48023387  1.0
  N  N19  1  0.57721211  0.79134179  0.51976613  1.0
  N  N20  1  0.95042411  0.14465180  0.71649512  1.0
  N  N21  1  0.04957589  0.85534820  0.28350488  1.0
  N  N22  1  0.22722999  0.05119030  0.94223607  1.0
  N  N23  1  0.77277001  0.94880970  0.05776393  1.0
  N  N24  1  0.34187808  0.32543806  0.89317031  1.0
  N  N25  1  0.98064771  0.33894998  0.06689120  1.0
  N  N26  1  0.01935229  0.66105002  0.93310880  1.0
  N  N27  1  0.65812192  0.67456194  0.10682969  1.0

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