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Ba8Ga7

Traditional Materials TRA

MP-ID: mp-30429 · Space group: P2_13 (#198)

Materials Project API

Basic Information

Formula
Ba8Ga7
MP-ID
mp-30429
Elements
2
Sites
60
Density
4.7252
g/cm³
Volume
2,230.37
ų
Cell a
13.0655
Å
Cell b
13.0655
Å
Cell c
13.0655
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_13
Point Group
23
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.57 9.2387 1.1 (1,1,0)
11.73 7.5434 3.6 (1,1,1)
13.55 6.5327 4.5 (2,0,0)
15.16 5.8431 4.2 (2,1,0)
19.21 4.6194 2.2 (2,2,0)
20.39 4.3552 4.2 (2,2,1)
21.51 4.1317 1.1 (3,1,0)
22.57 3.9394 1.6 (3,1,1)
23.59 3.7717 37.9 (2,2,2)
24.57 3.6237 19.9 (3,2,0)
25.51 3.4919 76.1 (3,2,1)
27.30 3.2664 27.7 (4,0,0)
28.16 3.1688 100.0 (3,2,2)
28.99 3.0796 80.2 (4,1,1)
29.81 2.9974 2.4 (3,3,1)
30.60 2.9215 31.5 (4,2,0)
31.38 2.8511 30.2 (4,2,1)
32.13 2.7856 8.7 (3,3,2)
33.60 2.6670 13.3 (4,2,2)
34.32 2.6131 23.2 (4,3,0)
35.02 2.5624 52.7 (5,1,0)
35.71 2.5145 5.5 (3,3,3)
37.05 2.4262 43.7 (4,3,2)
37.71 2.3854 1.3 (5,2,1)
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Energy Properties

Formation Energy/atom
-0.37114
eV/atom
Energy/atom
-2.80770
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.8873
eV/atom
Volume/atom
37.17
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
11.5565
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.005180
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ba · 0.533
Element Family
N/A
Solute Fraction
0.467
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.637
Family
Binary Alloy
Matrix Element
Ba · 0.533

Related Tasks

Related computation task IDs (2)
aaacbouw aaaekufd

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30429
Reference Citation

The crystal structure and related material properties of Ba8Ga7 were obtained from the Materials Project database (MP-ID: mp-30429, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Ba8Ga7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06548146
_cell_length_b   13.06548146
_cell_length_c   13.06548146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Ga7
_chemical_formula_sum   'Ba32 Ga28'
_cell_volume   2230.36660604
_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  0.81259735  0.81259735  0.81259735  1.0
  Ba  Ba1  1  0.68740265  0.18740265  0.31259735  1.0
  Ba  Ba2  1  0.31259735  0.68740265  0.18740265  1.0
  Ba  Ba3  1  0.18740265  0.31259735  0.68740265  1.0
  Ba  Ba4  1  0.18785230  0.18785230  0.18785230  1.0
  Ba  Ba5  1  0.31214770  0.81214770  0.68785230  1.0
  Ba  Ba6  1  0.68785230  0.31214770  0.81214770  1.0
  Ba  Ba7  1  0.81214770  0.68785230  0.31214770  1.0
  Ba  Ba8  1  0.79534837  0.55646416  0.00137420  1.0
  Ba  Ba9  1  0.00137420  0.79534837  0.55646416  1.0
  Ba  Ba10  1  0.55646416  0.00137420  0.79534837  1.0
  Ba  Ba11  1  0.94353584  0.99862580  0.29534837  1.0
  Ba  Ba12  1  0.50137420  0.70465163  0.44353584  1.0
  Ba  Ba13  1  0.44353584  0.50137420  0.70465163  1.0
  Ba  Ba14  1  0.49862580  0.20465163  0.05646416  1.0
  Ba  Ba15  1  0.99862580  0.29534837  0.94353584  1.0
  Ba  Ba16  1  0.05646416  0.49862580  0.20465163  1.0
  Ba  Ba17  1  0.29534837  0.94353584  0.99862580  1.0
  Ba  Ba18  1  0.20465163  0.05646416  0.49862580  1.0
  Ba  Ba19  1  0.70465163  0.44353584  0.50137420  1.0
  Ba  Ba20  1  0.52022592  0.70512882  0.93852608  1.0
  Ba  Ba21  1  0.93852608  0.52022592  0.70512882  1.0
  Ba  Ba22  1  0.70512882  0.93852608  0.52022592  1.0
  Ba  Ba23  1  0.79487118  0.06147392  0.02022592  1.0
  Ba  Ba24  1  0.43852608  0.97977408  0.29487118  1.0
  Ba  Ba25  1  0.29487118  0.43852608  0.97977408  1.0
  Ba  Ba26  1  0.56147392  0.47977408  0.20512882  1.0
  Ba  Ba27  1  0.06147392  0.02022592  0.79487118  1.0
  Ba  Ba28  1  0.20512882  0.56147392  0.47977408  1.0
  Ba  Ba29  1  0.02022592  0.79487118  0.06147392  1.0
  Ba  Ba30  1  0.47977408  0.20512882  0.56147392  1.0
  Ba  Ba31  1  0.97977408  0.29487118  0.43852608  1.0
  Ga  Ga32  1  0.43097209  0.43097209  0.43097209  1.0
  Ga  Ga33  1  0.06902791  0.56902791  0.93097209  1.0
  Ga  Ga34  1  0.93097209  0.06902791  0.56902791  1.0
  Ga  Ga35  1  0.56902791  0.93097209  0.06902791  1.0
  Ga  Ga36  1  0.76169435  0.19267226  0.57631856  1.0
  Ga  Ga37  1  0.57631856  0.76169435  0.19267226  1.0
  Ga  Ga38  1  0.19267226  0.57631856  0.76169435  1.0
  Ga  Ga39  1  0.30732774  0.42368144  0.26169435  1.0
  Ga  Ga40  1  0.07631856  0.73830565  0.80732774  1.0
  Ga  Ga41  1  0.80732774  0.07631856  0.73830565  1.0
  Ga  Ga42  1  0.92368144  0.23830565  0.69267226  1.0
  Ga  Ga43  1  0.42368144  0.26169435  0.30732774  1.0
  Ga  Ga44  1  0.69267226  0.92368144  0.23830565  1.0
  Ga  Ga45  1  0.26169435  0.30732774  0.42368144  1.0
  Ga  Ga46  1  0.23830565  0.69267226  0.92368144  1.0
  Ga  Ga47  1  0.73830565  0.80732774  0.07631856  1.0
  Ga  Ga48  1  0.74349960  0.68758963  0.58213975  1.0
  Ga  Ga49  1  0.58213975  0.74349960  0.68758963  1.0
  Ga  Ga50  1  0.68758963  0.58213975  0.74349960  1.0
  Ga  Ga51  1  0.81241037  0.41786025  0.24349960  1.0
  Ga  Ga52  1  0.08213975  0.75650040  0.31241037  1.0
  Ga  Ga53  1  0.31241037  0.08213975  0.75650040  1.0
  Ga  Ga54  1  0.91786025  0.25650040  0.18758963  1.0
  Ga  Ga55  1  0.41786025  0.24349960  0.81241037  1.0
  Ga  Ga56  1  0.18758963  0.91786025  0.25650040  1.0
  Ga  Ga57  1  0.24349960  0.81241037  0.41786025  1.0
  Ga  Ga58  1  0.25650040  0.18758963  0.91786025  1.0
  Ga  Ga59  1  0.75650040  0.31241037  0.08213975  1.0
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