Ba8Co7O19

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-817649 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ba8Co7O19

MP-ID

mp-817649

Elements

Sites

Density

5.7108

g/cm³

Volume

1,055.59

Å³

Cell a

10.6775

Cell b

10.6985

Cell c

11.6997

α Angle

105.70

β Angle

104.83

γ Angle

115.02

Space Group

Point Group

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
17.72	5.0042	100.0	(1,1,0)
17.73	5.0012	1.9	(1,1,-2)
18.30	4.8472	1.3	(0,2,-1)
18.34	4.8376	1.2	(2,0,-1)
23.63	3.7656	1.3	(0,1,-3)
25.30	3.5207	1.7	(0,2,-3)
25.45	3.4999	2.2	(2,0,-3)
26.27	3.3924	14.9	(2,-2,2)
26.51	3.3619	13.3	(2,-2,-2)
26.54	3.3589	8.5	(1,-3,2)
26.71	3.3377	7.1	(3,-1,-2)
27.17	3.2823	1.6	(1,2,-3)
27.23	3.2748	1.3	(2,1,-3)
28.03	3.1828	1.4	(3,0,-2)
33.89	2.6447	1.5	(1,3,-3)
33.98	2.6380	1.6	(3,1,-3)
35.89	2.5021	22.3	(2,2,0)
35.98	2.4959	1.2	(4,-3,0)
36.03	2.4929	1.2	(3,-4,0)
36.48	2.4632	6.3	(1,-3,4)
36.50	2.4617	6.5	(3,-1,2)
36.73	2.4467	6.0	(1,-3,-2)
36.79	2.4432	6.3	(3,-1,-4)
37.10	2.4236	2.7	(0,4,-2)

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Energy Properties

Formation Energy/atom

1.86161

eV/atom

Energy/atom

-2.82359

eV/atom

Energy above Hull

4.0040

eV/atom

Uncorrected Energy

-2.1025

eV/atom

Volume/atom

15.52

Å³

c/a Ratio

1.0957

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

33.9804

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.032190

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.559

Element Family

Metalloid-Nonmetal

Solute Fraction

0.441

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9910

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2394

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

57.842%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0874

smaller = more stable mixing

VEC

4.559

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9021

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.303

Family

O-rich Multi-Component

Matrix Element

O · 0.559

Related Tasks

Related computation task IDs (1)

aaabunob

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-817649

Reference Citation

The crystal structure and related material properties of Ba8Co7O19 were obtained from the Materials Project database (MP-ID: mp-817649, 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_Ba8Co7O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67746700
_cell_length_b   10.69849926
_cell_length_c   11.69972732
_cell_angle_alpha   105.69890715
_cell_angle_beta   104.82812548
_cell_angle_gamma   115.02158704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Co7O19
_chemical_formula_sum   'Ba16 Co14 O38'
_cell_volume   1055.59080780
_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
  Ba  Ba0  1  0.00144700  0.00428700  0.33127500  1.0
  Ba  Ba1  1  0.35664300  0.59672900  0.67750600  1.0
  Ba  Ba2  1  0.88560200  0.09961600  0.16254300  1.0
  Ba  Ba3  1  0.85755500  0.13658000  0.66256800  1.0
  Ba  Ba4  1  0.74760200  0.25718200  0.83105900  1.0
  Ba  Ba5  1  0.46548600  0.45950100  0.35961600  1.0
  Ba  Ba6  1  0.53577300  0.54106500  0.81801900  1.0
  Ba  Ba7  1  0.75798900  0.26089900  0.31667100  1.0
  Ba  Ba8  1  0.35519500  0.61155500  0.17566000  1.0
  Ba  Ba9  1  0.16660700  0.87832200  0.66070900  1.0
  Ba  Ba10  1  0.62688500  0.40738900  0.16169300  1.0
  Ba  Ba11  1  0.21344300  0.70777600  0.85869700  1.0
  Ba  Ba12  1  0.01959800  0.00426400  0.81375100  1.0
  Ba  Ba13  1  0.30637000  0.79033300  0.31342300  1.0
  Ba  Ba14  1  0.12284100  0.86196800  0.17611700  1.0
  Ba  Ba15  1  0.61358800  0.37095700  0.67486600  1.0
  Co  Co16  1  0.17511900  0.87224400  0.99554000  1.0
  Co  Co17  1  0.83855200  0.14580500  0.99849100  1.0
  Co  Co18  1  0.41503100  0.54759300  0.00609900  1.0
  Co  Co19  1  0.29729000  0.66489600  0.50699900  1.0
  Co  Co20  1  0.71406700  0.30064500  0.00239100  1.0
  Co  Co21  1  0.27119600  0.68669000  0.00658400  1.0
  Co  Co22  1  0.56677300  0.43426800  0.00600300  1.0
  Co  Co23  1  0.04496500  0.95989500  0.50630400  1.0
  Co  Co24  1  0.43883600  0.52589900  0.50593500  1.0
  Co  Co25  1  0.18690500  0.81880600  0.50544200  1.0
  Co  Co26  1  0.61661800  0.42596900  0.49466000  1.0
  Co  Co27  1  0.73850300  0.25415900  0.51058800  1.0
  Co  Co28  1  0.88951400  0.08583600  0.49732700  1.0
  Co  Co29  1  0.95647400  0.97851200  0.01117800  1.0
  O  O30  1  0.23401100  0.76659500  0.07352300  1.0
  O  O31  1  0.46587900  0.96339300  0.35756400  1.0
  O  O32  1  0.34361100  0.11188800  0.41619900  1.0
  O  O33  1  0.98983700  0.46852500  0.84507000  1.0
  O  O34  1  0.13516800  0.40924100  0.14438200  1.0
  O  O35  1  0.60638000  0.94035800  0.63654700  1.0
  O  O36  1  0.86091500  0.59296900  0.91832600  1.0
  O  O37  1  0.90364200  0.74023500  0.13282400  1.0
  O  O38  1  0.90983100  0.68430700  0.64435700  1.0
  O  O39  1  0.54935700  0.01886600  0.06868400  1.0
  O  O40  1  0.99020000  0.57530300  0.07027500  1.0
  O  O41  1  0.51774700  0.50036800  0.57319400  1.0
  O  O42  1  0.79242500  0.21987400  0.07291800  1.0
  O  O43  1  0.39850800  0.62987100  0.42142100  1.0
  O  O44  1  0.42976300  0.15775200  0.14495300  1.0
  O  O45  1  0.74377200  0.72016800  0.34759200  1.0
  O  O46  1  0.30831500  0.23604800  0.57464900  1.0
  O  O47  1  0.19470400  0.22954300  0.35742000  1.0
  O  O48  1  0.28572300  0.25855300  0.07147800  1.0
  O  O49  1  0.44974600  0.98411000  0.85697000  1.0
  O  O50  1  0.71342400  0.71365100  0.85741200  1.0
  O  O51  1  0.90532800  0.60010100  0.42077100  1.0
  O  O52  1  0.10638900  0.95852700  0.92226800  1.0
  O  O53  1  0.27669700  0.75064500  0.57134200  1.0
  O  O54  1  0.38984800  0.16141700  0.91312100  1.0
  O  O55  1  0.15487100  0.38389900  0.64654600  1.0
  O  O56  1  0.96247800  0.04642000  0.57156600  1.0
  O  O57  1  0.50020000  0.52724000  0.07169800  1.0
  O  O58  1  0.76309600  0.79641800  0.57377900  1.0
  O  O59  1  0.12498900  0.27900000  0.92959800  1.0
  O  O60  1  0.02255100  0.37414800  0.42599400  1.0
  O  O61  1  0.69077900  0.33447300  0.42557500  1.0
  O  O62  1  0.46292300  0.11982100  0.65214500  1.0
  O  O63  1  0.88560700  0.07382100  0.92740900  1.0
  O  O64  1  0.38472200  0.65362100  0.91854700  1.0
  O  O65  1  0.00655200  0.53543300  0.57246000  1.0
  O  O66  1  0.84779800  0.12218400  0.41500800  1.0
  O  O67  1  0.66728500  0.82577600  0.15857200  1.0

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