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BaBe13

Traditional Materials TRA

MP-ID: mp-30425 · Space group: Fm-3c (#226)

Basic Information

Formula
BaBe13
MP-ID
mp-30425
Elements
2
Sites
28
Density
2.8029
g/cm³
Volume
301.53
ų
Cell a
7.5269
Å
Cell b
7.5269
Å
Cell c
7.5271
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3c
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.66 5.3223 38.7 (1,1,0)
16.66 5.3223 77.5 (1,0,1)
23.64 3.7636 25.0 (1,1,2)
23.64 3.7635 100.0 (1,0,-1)
23.64 3.7634 25.0 (1,-1,0)
29.06 3.0729 17.4 (0,0,2)
29.06 3.0729 17.4 (2,2,2)
29.06 3.0728 34.8 (2,0,0)
33.68 2.6612 11.2 (2,2,0)
33.68 2.6612 22.5 (2,0,2)
37.80 2.3803 18.2 (2,1,3)
37.80 2.3802 18.2 (2,1,-1)
37.80 2.3802 18.2 (3,2,1)
37.80 2.3802 36.4 (1,-1,2)
37.80 2.3802 18.2 (2,-1,1)
41.56 2.1729 15.1 (1,0,3)
41.56 2.1729 15.1 (3,2,3)
41.56 2.1729 7.5 (1,1,-2)
41.56 2.1729 7.5 (3,3,2)
41.56 2.1728 15.1 (3,1,0)
41.56 2.1728 30.1 (2,-1,-1)
48.37 1.8818 3.1 (2,2,4)
48.37 1.8817 6.2 (2,0,-2)
48.37 1.8817 6.2 (4,2,2)
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Energy Properties

Formation Energy/atom
0.03836
eV/atom
Energy/atom
-3.57102
eV/atom
Energy above Hull
0.0384
eV/atom
Uncorrected Energy
-3.5710
eV/atom
Volume/atom
10.77
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Be · 0.929
Element Family
N/A
Solute Fraction
0.071
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.573
Family
Binary Alloy
Matrix Element
Be · 0.929

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30425
Reference Citation

The crystal structure and related material properties of BaBe13 were obtained from the Materials Project database (MP-ID: mp-30425, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_BaBe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52692449
_cell_length_b   7.52692457
_cell_length_c   7.52712069
_cell_angle_alpha   59.99914711
_cell_angle_beta   59.99914673
_cell_angle_gamma   59.99823914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe13
_chemical_formula_sum   'Ba2 Be26'
_cell_volume   301.53492802
_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  0.75000000  0.75000000  0.75000000  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.25000000  1.0
  Be  Be2  1  0.93347030  0.28146992  0.71850782  1.0
  Be  Be3  1  0.71853008  0.06652970  0.93344804  1.0
  Be  Be4  1  -0.00000000  0.00000000  0.00000000  1.0
  Be  Be5  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be6  1  0.28146992  0.93347030  0.06655196  1.0
  Be  Be7  1  0.56654549  0.43345451  0.78144570  1.0
  Be  Be8  1  0.78151499  0.21848501  0.56653683  1.0
  Be  Be9  1  0.56654687  0.78147511  0.21851288  1.0
  Be  Be10  1  0.43345313  0.21852489  0.78148712  1.0
  Be  Be11  1  0.43347030  0.78146992  0.56655196  1.0
  Be  Be12  1  0.78146992  0.43347030  0.21850782  1.0
  Be  Be13  1  0.06654687  0.28147511  0.93346515  1.0
  Be  Be14  1  0.93345451  0.06654549  0.28144570  1.0
  Be  Be15  1  0.71848501  0.28151499  0.06653683  1.0
  Be  Be16  1  0.93345313  0.71852489  0.06653485  1.0
  Be  Be17  1  0.71852489  0.93345313  0.28148712  1.0
  Be  Be18  1  0.06654549  0.93345451  0.71855430  1.0
  Be  Be19  1  0.28147511  0.06654687  0.71851288  1.0
  Be  Be20  1  0.28151499  0.71848501  0.93346317  1.0
  Be  Be21  1  0.78147511  0.56654687  0.43346515  1.0
  Be  Be22  1  0.21848501  0.78151499  0.43346317  1.0
  Be  Be23  1  0.21853008  0.56652970  0.78149218  1.0
  Be  Be24  1  0.56652970  0.21853008  0.43344804  1.0
  Be  Be25  1  0.43345451  0.56654549  0.21855430  1.0
  Be  Be26  1  0.21852489  0.43345313  0.56653485  1.0
  Be  Be27  1  0.06652970  0.71853008  0.28149218  1.0
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