Sr8Co3N8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1030752 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Sr8Co3N8

MP-ID

mp-1030752

Elements

Sites

Density

4.5833

g/cm³

Volume

358.61

Å³

Cell a

9.7324

Cell b

9.7324

Cell c

7.4602

α Angle

74.80

β Angle

74.80

γ Angle

31.84

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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
9.82	9.0047	3.2	(1,1,0)
13.52	6.5502	2.3	(1,1,1)
17.78	4.9889	1.5	(1,1,-1)
20.52	4.3288	2.9	(1,0,1)
24.06	3.6986	5.7	(1,1,2)
26.07	3.4177	10.0	(2,2,-1)
27.23	3.2751	16.9	(2,2,2)
27.48	3.2461	29.4	(2,1,-1)
28.95	3.0846	13.0	(3,3,1)
29.19	3.0593	7.4	(1,1,-2)
29.27	3.0517	49.4	(1,0,2)
29.70	3.0084	59.3	(3,2,1)
29.77	3.0016	13.2	(3,3,0)
29.93	2.9858	37.4	(3,2,0)
30.33	2.9466	21.3	(2,1,2)
31.54	2.8369	62.4	(1,0,-2)
33.29	2.6917	4.4	(3,3,2)
33.58	2.6691	100.0	(1,-1,0)
34.46	2.6026	24.7	(3,2,2)
35.06	2.5593	10.5	(3,2,-1)
35.42	2.5342	22.5	(3,3,-1)
36.00	2.4944	13.7	(2,2,-2)
36.12	2.4867	5.3	(1,1,3)
37.45	2.4014	12.9	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.66902

eV/atom

Energy/atom

-6.01881

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.8668

eV/atom

Volume/atom

18.87

Å³

c/a Ratio

0.7665

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.5872

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.015580

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.421

Element Family

Alkali-AlkEarth

Solute Fraction

0.579

Interstitial Fraction

0.421

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0199

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4792

J/mol·K

Ω Parameter

0.9088

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.453%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9599

smaller = more stable mixing

VEC

4.368

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.977

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9283

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.487

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.421

Related Tasks

Related computation task IDs (2)

aaacgrbt aaaeatlv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1030752

Reference Citation

The crystal structure and related material properties of Sr8Co3N8 were obtained from the Materials Project database (MP-ID: mp-1030752, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Sr8Co3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73236097
_cell_length_b   9.73236097
_cell_length_c   7.46021313
_cell_angle_alpha   74.80167635
_cell_angle_beta   74.80167635
_cell_angle_gamma   31.83507668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8Co3N8
_chemical_formula_sum   'Sr8 Co3 N8'
_cell_volume   358.60902929
_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
  Sr  Sr0  1  0.97046600  0.97046600  0.26455200  1.0
  Sr  Sr1  1  0.02953400  0.02953400  0.73544800  1.0
  Sr  Sr2  1  0.66699100  0.66699100  0.52714700  1.0
  Sr  Sr3  1  0.33300900  0.33300900  0.47285300  1.0
  Sr  Sr4  1  0.59578500  0.59578500  0.04048700  1.0
  Sr  Sr5  1  0.40421500  0.40421500  0.95951300  1.0
  Sr  Sr6  1  0.20037300  0.20037300  0.19008500  1.0
  Sr  Sr7  1  0.79962700  0.79962700  0.80991500  1.0
  Co  Co8  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co9  1  0.81319700  0.81319700  0.20586000  1.0
  Co  Co10  1  0.18680300  0.18680300  0.79414000  1.0
  N  N11  1  0.89369800  0.89369800  0.01148900  1.0
  N  N12  1  0.10630200  0.10630200  0.98851100  1.0
  N  N13  1  0.82291800  0.82291800  0.43183300  1.0
  N  N14  1  0.17708200  0.17708200  0.56816700  1.0
  N  N15  1  0.72426300  0.72426300  0.16687700  1.0
  N  N16  1  0.27573700  0.27573700  0.83312300  1.0
  N  N17  1  0.47420300  0.47420300  0.28521800  1.0
  N  N18  1  0.52579700  0.52579700  0.71478200  1.0

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