Na8Co5O14

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-887528 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Na8Co5O14

MP-ID

mp-887528

Elements

Sites

Density

3.8574

g/cm³

Volume

604.89

Å³

Cell a

10.3221

Cell b

8.2636

Cell c

8.4659

α Angle

112.55

β Angle

103.75

γ Angle

103.29

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

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
9.45	9.3624	100.0	(1,0,0)
12.15	7.2866	23.3	(0,0,1)
12.40	7.1403	73.4	(1,0,-1)
12.42	7.1264	22.1	(0,1,0)
12.63	7.0060	24.5	(1,-1,0)
12.73	6.9550	34.9	(0,1,-1)
15.85	5.5915	3.8	(1,-1,1)
15.90	5.5746	5.3	(1,1,-1)
18.59	4.7742	19.7	(2,-1,0)
18.96	4.6812	4.3	(2,0,0)
21.09	4.2116	1.5	(0,1,1)
21.64	4.1065	1.1	(2,-1,-1)
21.65	4.1057	1.0	(0,1,-2)
21.81	4.0757	11.6	(1,1,-2)
22.11	4.0195	1.6	(0,2,-1)
22.22	4.0007	4.6	(1,-2,1)
22.87	3.8892	8.7	(2,-1,1)
23.32	3.8147	3.0	(1,-2,0)
24.94	3.5702	3.9	(2,0,-2)
24.99	3.5632	4.5	(0,2,0)
25.39	3.5079	11.0	(1,-1,2)
25.81	3.4525	3.5	(2,1,-2)
26.25	3.3947	2.3	(2,1,0)
26.69	3.3403	9.6	(3,0,-1)

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Energy Properties

Formation Energy/atom

-0.66680

eV/atom

Energy/atom

-4.95096

eV/atom

Energy above Hull

0.8170

eV/atom

Uncorrected Energy

-4.2914

eV/atom

Volume/atom

11.20

Å³

c/a Ratio

0.8202

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

28.0037

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.046300

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.519

Element Family

Metalloid-Nonmetal

Solute Fraction

0.481

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0133

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4243

J/mol·K

Ω Parameter

1.1414

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.487%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1185

smaller = more stable mixing

VEC

4.037

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.437

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9223

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.275

Family

O-rich Multi-Component

Matrix Element

O · 0.519

Related Tasks

Related computation task IDs (1)

aaabymxs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-887528

Reference Citation

The crystal structure and related material properties of Na8Co5O14 were obtained from the Materials Project database (MP-ID: mp-887528, 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_Na8Co5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32211600
_cell_length_b   8.26357672
_cell_length_c   8.46594093
_cell_angle_alpha   112.55229421
_cell_angle_beta   103.75275409
_cell_angle_gamma   103.28577503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na8Co5O14
_chemical_formula_sum   'Na16 Co10 O28'
_cell_volume   604.89400228
_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
  Na  Na0  1  0.66606900  0.01214400  0.44197100  1.0
  Na  Na1  1  0.00000000  0.00000000  0.00000000  1.0
  Na  Na2  1  0.64775400  0.15661100  0.15120800  1.0
  Na  Na3  1  0.36459400  0.16036500  0.29593900  1.0
  Na  Na4  1  0.01534200  0.10737900  0.37267200  1.0
  Na  Na5  1  0.41638500  0.29716200  0.70912100  1.0
  Na  Na6  1  0.47445000  0.38209000  0.10351900  1.0
  Na  Na7  1  0.12393500  0.43210200  0.56061200  1.0
  Na  Na8  1  0.50000000  0.50000000  0.50000000  1.0
  Na  Na9  1  0.87606500  0.56789800  0.43938800  1.0
  Na  Na10  1  0.52555000  0.61791000  0.89648100  1.0
  Na  Na11  1  0.58361500  0.70283800  0.29087900  1.0
  Na  Na12  1  0.98465800  0.89262100  0.62732800  1.0
  Na  Na13  1  0.63540600  0.83963500  0.70406100  1.0
  Na  Na14  1  0.35224600  0.84338900  0.84879200  1.0
  Na  Na15  1  0.33393100  0.98785600  0.55802900  1.0
  Co  Co16  1  0.74763600  0.17081300  0.86295200  1.0
  Co  Co17  1  0.06644500  0.22582100  0.79437400  1.0
  Co  Co18  1  0.76556400  0.33892200  0.60999900  1.0
  Co  Co19  1  0.10530200  0.33324800  0.16923300  1.0
  Co  Co20  1  0.83644400  0.47129800  0.03380600  1.0
  Co  Co21  1  0.16355600  0.52870200  0.96619400  1.0
  Co  Co22  1  0.89469800  0.66675200  0.83076700  1.0
  Co  Co23  1  0.23443600  0.66107800  0.39000100  1.0
  Co  Co24  1  0.93355500  0.77417900  0.20562600  1.0
  Co  Co25  1  0.25236400  0.82918700  0.13704800  1.0
  O  O26  1  0.56776400  0.02281600  0.83702000  1.0
  O  O27  1  0.85657000  0.06474500  0.74990800  1.0
  O  O28  1  0.60391700  0.19038200  0.62868100  1.0
  O  O29  1  0.91101800  0.24035600  0.56637600  1.0
  O  O30  1  0.16787300  0.12533000  0.69365600  1.0
  O  O31  1  0.90080000  0.18196500  0.10470300  1.0
  O  O32  1  0.66153500  0.30824000  0.97896200  1.0
  O  O33  1  0.96251200  0.35215800  0.92733500  1.0
  O  O34  1  0.64295200  0.34966400  0.39089800  1.0
  O  O35  1  0.19669800  0.22850300  0.04111400  1.0
  O  O36  1  0.23477500  0.31128800  0.39290900  1.0
  O  O37  1  0.98939300  0.52848800  0.73702000  1.0
  O  O38  1  0.71335200  0.48382100  0.79083200  1.0
  O  O39  1  0.25457800  0.40980400  0.85328300  1.0
  O  O40  1  0.74542200  0.59019600  0.14671700  1.0
  O  O41  1  0.28664800  0.51617900  0.20916800  1.0
  O  O42  1  0.01060700  0.47151200  0.26298000  1.0
  O  O43  1  0.76522500  0.68871200  0.60709100  1.0
  O  O44  1  0.80330200  0.77149700  0.95888600  1.0
  O  O45  1  0.35704800  0.65033600  0.60910200  1.0
  O  O46  1  0.03748800  0.64784200  0.07266500  1.0
  O  O47  1  0.33846500  0.69176000  0.02103800  1.0
  O  O48  1  0.09920000  0.81803500  0.89529700  1.0
  O  O49  1  0.83212700  0.87467000  0.30634400  1.0
  O  O50  1  0.08898200  0.75964400  0.43362400  1.0
  O  O51  1  0.39608300  0.80961800  0.37131900  1.0
  O  O52  1  0.14343000  0.93525500  0.25009200  1.0
  O  O53  1  0.43223600  0.97718400  0.16298000  1.0

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