K3Ga13

Traditional Materials TRA

MP-ID: mp-680682 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

K3Ga13

MP-ID

mp-680682

Elements

Sites

Density

4.6733

g/cm³

Volume

1,454.99

Å³

Cell a

6.4024

Cell b

8.6551

Cell c

28.2608

α Angle

90.00

β Angle

90.00

γ Angle

111.71

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic C

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
6.25	14.1304	25.8	(0,0,2)
11.00	8.0414	19.0	(0,1,0)
11.44	7.7344	84.5	(0,1,1)
12.53	7.0652	100.0	(0,0,4)
12.67	6.9889	51.6	(0,1,2)
14.48	6.1161	35.7	(0,1,3)
14.89	5.9484	24.5	(1,0,0)
15.22	5.8209	70.4	(1,0,1)
16.17	5.4824	4.0	(1,0,2)
16.70	5.3076	17.6	(0,1,4)
17.63	5.0296	4.2	(1,0,3)
18.84	4.7101	5.4	(0,0,6)
19.19	4.6242	5.4	(0,1,5)
19.51	4.5504	9.7	(1,0,4)
21.62	4.1103	1.1	(1,1,0)
21.87	4.0643	3.2	(0,1,6)
22.11	4.0207	1.6	(0,2,0)
22.53	3.9467	13.5	(1,1,2)
23.00	3.8672	10.3	(0,2,2)
23.62	3.7673	10.4	(1,1,3)
24.07	3.6979	14.9	(0,2,3)
24.10	3.6927	4.9	(1,0,6)
24.67	3.6081	10.9	(0,1,7)
25.06	3.5528	9.2	(1,1,4)

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Energy Properties

Formation Energy/atom

-0.15181

eV/atom

Energy/atom

-2.82427

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-2.8243

eV/atom

Volume/atom

22.73

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.813

Element Family

N/A

Solute Fraction

0.188

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.640

Family

Binary Alloy

Matrix Element

Ga · 0.813

Related Tasks

Related computation task IDs (3)

aaacaclf aaaczpjx aaadjzvb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-680682

Reference Citation

The crystal structure and related material properties of K3Ga13 were obtained from the Materials Project database (MP-ID: mp-680682, 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

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Raw CIF Data

# generated using pymatgen
data_K3Ga13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40243350
_cell_length_b   8.65512330
_cell_length_c   28.26080679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.70721068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ga13
_chemical_formula_sum   'K12 Ga52'
_cell_volume   1454.98602449
_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
  K  K0  1  0.21334800  0.42669700  0.58606814  1.0
  K  K1  1  0.78665200  0.57330300  0.41393186  1.0
  K  K2  1  0.36324541  0.72649182  0.82040671  1.0
  K  K3  1  0.98721405  0.97442810  0.86088611  1.0
  K  K4  1  0.63675459  0.27350818  0.32040671  1.0
  K  K5  1  0.36324541  0.72649182  0.67959329  1.0
  K  K6  1  0.01278595  0.02557190  0.36088611  1.0
  K  K7  1  0.01278595  0.02557190  0.13911389  1.0
  K  K8  1  0.21334800  0.42669700  0.91393186  1.0
  K  K9  1  0.98721405  0.97442810  0.63911389  1.0
  K  K10  1  0.63675459  0.27350818  0.17959329  1.0
  K  K11  1  0.78665200  0.57330300  0.08606814  1.0
  Ga  Ga12  1  0.20171516  0.40343233  0.07297936  1.0
  Ga  Ga13  1  0.24349711  0.09921672  0.53534564  1.0
  Ga  Ga14  1  0.40590436  0.21987281  0.04702604  1.0
  Ga  Ga15  1  0.97196123  0.34458843  0.79678685  1.0
  Ga  Ga16  1  0.74225861  0.48451721  0.84308084  1.0
  Ga  Ga17  1  0.34269487  0.68538873  0.03166066  1.0
  Ga  Ga18  1  0.59409564  0.78012719  0.95297396  1.0
  Ga  Ga19  1  0.24349711  0.09921672  0.96465436  1.0
  Ga  Ga20  1  0.85571761  0.09921672  0.53534564  1.0
  Ga  Ga21  1  0.85571761  0.09921672  0.96465436  1.0
  Ga  Ga22  1  0.81396845  0.21987281  0.04702604  1.0
  Ga  Ga23  1  0.79828484  0.59656767  0.92702064  1.0
  Ga  Ga24  1  0.34269487  0.68538873  0.46833934  1.0
  Ga  Ga25  1  0.40590436  0.21987281  0.45297396  1.0
  Ga  Ga26  1  0.77338707  0.54677614  0.75000000  1.0
  Ga  Ga27  1  0.25698384  0.93567660  0.25000000  1.0
  Ga  Ga28  1  0.18603155  0.78012719  0.54702604  1.0
  Ga  Ga29  1  0.25774139  0.51548279  0.15691916  1.0
  Ga  Ga30  1  0.75650289  0.90078328  0.03534564  1.0
  Ga  Ga31  1  0.51632674  0.03265248  0.91039297  1.0
  Ga  Ga32  1  0.37262721  0.34458843  0.79678685  1.0
  Ga  Ga33  1  0.65730513  0.31461127  0.96833934  1.0
  Ga  Ga34  1  0.14428239  0.90078328  0.46465436  1.0
  Ga  Ga35  1  0.57434994  0.14870088  0.82842598  1.0
  Ga  Ga36  1  0.75650289  0.90078328  0.46465436  1.0
  Ga  Ga37  1  0.14428239  0.90078328  0.03534564  1.0
  Ga  Ga38  1  0.42565006  0.85129912  0.17157402  1.0
  Ga  Ga39  1  0.92627147  0.85254294  0.75000000  1.0
  Ga  Ga40  1  0.74301616  0.06432340  0.75000000  1.0
  Ga  Ga41  1  0.65730513  0.31461127  0.53166066  1.0
  Ga  Ga42  1  0.37262721  0.34458843  0.70321315  1.0
  Ga  Ga43  1  0.02803877  0.65541157  0.29678685  1.0
  Ga  Ga44  1  0.67869275  0.93567660  0.25000000  1.0
  Ga  Ga45  1  0.51632674  0.03265248  0.58960703  1.0
  Ga  Ga46  1  0.22661293  0.45322386  0.25000000  1.0
  Ga  Ga47  1  0.20171516  0.40343233  0.42702064  1.0
  Ga  Ga48  1  0.62737279  0.65541157  0.20321315  1.0
  Ga  Ga49  1  0.18603155  0.78012719  0.95297396  1.0
  Ga  Ga50  1  0.48367326  0.96734752  0.41039297  1.0
  Ga  Ga51  1  0.59409564  0.78012719  0.54702604  1.0
  Ga  Ga52  1  0.32130725  0.06432340  0.75000000  1.0
  Ga  Ga53  1  0.57434994  0.14870088  0.67157402  1.0
  Ga  Ga54  1  0.79828484  0.59656767  0.57297936  1.0
  Ga  Ga55  1  0.48367326  0.96734752  0.08960703  1.0
  Ga  Ga56  1  0.25774139  0.51548279  0.34308084  1.0
  Ga  Ga57  1  0.81396845  0.21987281  0.45297396  1.0
  Ga  Ga58  1  0.02803877  0.65541157  0.20321315  1.0
  Ga  Ga59  1  0.07372853  0.14745706  0.25000000  1.0
  Ga  Ga60  1  0.42565006  0.85129912  0.32842598  1.0
  Ga  Ga61  1  0.74225861  0.48451721  0.65691916  1.0
  Ga  Ga62  1  0.97196123  0.34458843  0.70321315  1.0
  Ga  Ga63  1  0.62737279  0.65541157  0.29678685  1.0

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