Ba10Ga

Traditional Materials TRA

MP-ID: mp-30430 · Space group: Fd-3m (#227)

Materials Project API

Basic Information

Formula

Ba10Ga

MP-ID

mp-30430

Elements

Sites

Density

3.6847

g/cm³

Volume

2,601.21

Å³

Cell a

15.4370

Cell b

15.4370

Cell c

15.4370

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fd-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

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
7.01	12.6043	48.8	(1,1,1)
11.46	7.7185	8.2	(2,1,1)
13.45	6.5824	3.9	(2,2,1)
19.92	4.4563	2.1	(3,3,2)
21.15	4.2014	23.2	(2,2,-1)
24.12	3.6902	100.0	(4,3,2)
24.46	3.6385	23.0	(4,3,3)
25.81	3.4518	18.2	(4,3,1)
26.78	3.3292	60.0	(4,4,3)
27.09	3.2912	82.8	(4,4,2)
28.32	3.1511	39.4	(4,4,4)
29.21	3.0570	69.3	(5,2,2)
30.65	2.9173	25.0	(5,4,3)
31.48	2.8422	3.1	(5,4,4)
33.60	2.6671	6.3	(5,5,3)
34.87	2.5728	36.0	(6,3,3)
35.61	2.5209	8.9	(6,4,3)
36.82	2.4408	3.5	(6,4,2)
37.53	2.3963	1.2	(6,5,4)
37.77	2.3820	7.8	(6,5,3)
39.37	2.2885	1.7	(6,5,2)
40.48	2.2281	1.5	(6,6,4)
41.14	2.1941	13.2	(7,3,3)
42.22	2.1407	6.7	(7,3,2)

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Energy Properties

Formation Energy/atom

0.05507

eV/atom

Energy/atom

-1.96474

eV/atom

Energy above Hull

0.1274

eV/atom

Uncorrected Energy

-1.9647

eV/atom

Volume/atom

59.12

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.5805

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000220

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ba · 0.909

Element Family

N/A

Solute Fraction

0.091

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.600

Family

Binary Alloy

Matrix Element

Ba · 0.909

Related Tasks

Related computation task IDs (2)

aaacbouq aaacxlbc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30430

Reference Citation

The crystal structure and related material properties of Ba10Ga were obtained from the Materials Project database (MP-ID: mp-30430, 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_Ba10Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.43702492
_cell_length_b   15.43702492
_cell_length_c   15.43702492
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba10Ga
_chemical_formula_sum   'Ba40 Ga4'
_cell_volume   2601.21241193
_cell_formula_units_Z   4
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  0.61814200  0.61814200  0.88185800  1.0
  Ba  Ba1  1  0.36814200  0.63185800  0.63185800  1.0
  Ba  Ba2  1  0.63185800  0.36814200  0.36814200  1.0
  Ba  Ba3  1  0.36814200  0.36814200  0.63185800  1.0
  Ba  Ba4  1  0.36814200  0.63185800  0.36814200  1.0
  Ba  Ba5  1  0.63185800  0.36814200  0.63185800  1.0
  Ba  Ba6  1  0.88185800  0.61814200  0.88185800  1.0
  Ba  Ba7  1  0.88185800  0.61814200  0.61814200  1.0
  Ba  Ba8  1  0.61814200  0.88185800  0.88185800  1.0
  Ba  Ba9  1  0.61814200  0.88185800  0.61814200  1.0
  Ba  Ba10  1  0.63185800  0.63185800  0.36814200  1.0
  Ba  Ba11  1  0.88185800  0.88185800  0.61814200  1.0
  Ba  Ba12  1  0.79186100  0.07054500  0.34573200  1.0
  Ba  Ba13  1  0.45813900  0.45813900  0.17945500  1.0
  Ba  Ba14  1  0.17945500  0.90426800  0.45813900  1.0
  Ba  Ba15  1  0.45813900  0.90426800  0.45813900  1.0
  Ba  Ba16  1  0.90426800  0.45813900  0.17945500  1.0
  Ba  Ba17  1  0.90426800  0.45813900  0.45813900  1.0
  Ba  Ba18  1  0.17945500  0.45813900  0.45813900  1.0
  Ba  Ba19  1  0.34573200  0.07054500  0.79186100  1.0
  Ba  Ba20  1  0.79186100  0.07054500  0.79186100  1.0
  Ba  Ba21  1  0.07054500  0.79186100  0.34573200  1.0
  Ba  Ba22  1  0.79186100  0.79186100  0.34573200  1.0
  Ba  Ba23  1  0.07054500  0.34573200  0.79186100  1.0
  Ba  Ba24  1  0.34573200  0.79186100  0.07054500  1.0
  Ba  Ba25  1  0.79186100  0.79186100  0.07054500  1.0
  Ba  Ba26  1  0.79186100  0.34573200  0.79186100  1.0
  Ba  Ba27  1  0.17945500  0.45813900  0.90426800  1.0
  Ba  Ba28  1  0.45813900  0.45813900  0.90426800  1.0
  Ba  Ba29  1  0.45813900  0.90426800  0.17945500  1.0
  Ba  Ba30  1  0.45813900  0.17945500  0.90426800  1.0
  Ba  Ba31  1  0.90426800  0.17945500  0.45813900  1.0
  Ba  Ba32  1  0.45813900  0.17945500  0.45813900  1.0
  Ba  Ba33  1  0.34573200  0.79186100  0.79186100  1.0
  Ba  Ba34  1  0.07054500  0.79186100  0.79186100  1.0
  Ba  Ba35  1  0.79186100  0.34573200  0.07054500  1.0
  Ba  Ba36  1  0.12500000  0.12500000  0.12500000  1.0
  Ba  Ba37  1  0.62500000  0.12500000  0.12500000  1.0
  Ba  Ba38  1  0.12500000  0.12500000  0.62500000  1.0
  Ba  Ba39  1  0.12500000  0.62500000  0.12500000  1.0
  Ga  Ga40  1  0.62500000  0.62500000  0.62500000  1.0
  Ga  Ga41  1  0.12500000  0.62500000  0.62500000  1.0
  Ga  Ga42  1  0.62500000  0.62500000  0.12500000  1.0
  Ga  Ga43  1  0.62500000  0.12500000  0.62500000  1.0

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