MnGa
Traditional Materials TRAMP-ID: mp-636105 · Space group: R-3m (#166)
Basic Information
Formula
MnGa
MP-ID
mp-636105
Elements
2
Sites
26
Density
7.4155
g/cm³
Volume
362.90
ų
Cell a
7.7641
Å
Cell b
7.7641
Å
Cell c
7.7644
Å
α Angle
109.27
°
β Angle
109.28
°
γ Angle
109.27
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
hR
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.99 | 6.3318 | 1.2 | (1,0,-1) |
| 13.99 | 6.3318 | 1.2 | (0,1,-1) |
| 13.99 | 6.3317 | 1.2 | (1,-1,0) |
| 27.98 | 3.1887 | 4.1 | (0,0,2) |
| 27.98 | 3.1887 | 4.1 | (0,2,0) |
| 27.98 | 3.1887 | 4.1 | (2,0,0) |
| 31.41 | 2.8480 | 1.2 | (1,-1,-2) |
| 31.41 | 2.8480 | 1.2 | (1,-1,2) |
| 31.41 | 2.8479 | 1.2 | (1,-2,-1) |
| 31.41 | 2.8479 | 1.2 | (2,-1,1) |
| 31.41 | 2.8479 | 1.2 | (1,2,-1) |
| 31.41 | 2.8479 | 1.2 | (2,1,-1) |
| 31.55 | 2.8357 | 5.4 | (2,-1,-2) |
| 31.55 | 2.8357 | 5.4 | (1,-2,2) |
| 31.55 | 2.8357 | 5.4 | (2,1,-2) |
| 31.55 | 2.8357 | 5.3 | (1,2,-2) |
| 31.55 | 2.8357 | 5.4 | (2,-2,-1) |
| 31.55 | 2.8357 | 5.4 | (2,-2,1) |
| 34.32 | 2.6130 | 16.5 | (1,1,1) |
| 34.66 | 2.5881 | 19.7 | (1,1,-3) |
| 34.66 | 2.5880 | 19.7 | (1,-3,1) |
| 34.66 | 2.5880 | 19.7 | (3,-1,-1) |
| 37.22 | 2.4154 | 5.6 | (0,1,2) |
| 37.22 | 2.4154 | 5.6 | (1,0,2) |
Energy Properties
Formation Energy/atom
-0.22204
eV/atom
Energy/atom
-13.28509
eV/atom
Energy above Hull
0.0506
eV/atom
Uncorrected Energy
-6.1847
eV/atom
Volume/atom
13.96
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
33.1024
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.091220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.755
Family
Binary Alloy
Matrix Element
Mn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-636105
Reference Citation
The crystal structure and related material properties of MnGa were obtained from the Materials Project database (MP-ID: mp-636105, 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_MnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76412757
_cell_length_b 7.76413757
_cell_length_c 7.76434989
_cell_angle_alpha 109.27496330
_cell_angle_beta 109.27566597
_cell_angle_gamma 109.27491924
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnGa
_chemical_formula_sum 'Mn13 Ga13'
_cell_volume 362.89557243
_cell_formula_units_Z 13
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
Mn Mn0 1 0.18785092 0.18784887 0.83097734 1.0
Mn Mn1 1 0.81995568 0.59906422 0.81996683 1.0
Mn Mn2 1 0.81996351 0.81995301 0.59906977 1.0
Mn Mn3 1 0.81215446 0.16902825 0.81214615 1.0
Mn Mn4 1 0.18005095 0.40094855 0.18003000 1.0
Mn Mn5 1 0.18003170 0.18003976 0.40091111 1.0
Mn Mn6 1 0.83096724 0.18783933 0.18784599 1.0
Mn Mn7 1 0.16903351 0.81214869 0.81214514 1.0
Mn Mn8 1 0.18783604 0.83096924 0.18784496 1.0
Mn Mn9 1 0.81215737 0.81215442 0.16901805 1.0
Mn Mn10 1 0.59904625 0.81993895 0.81995414 1.0
Mn Mn11 1 0.40096754 0.18006342 0.18005475 1.0
Mn Mn12 1 0.50000185 0.49999804 0.49999887 1.0
Ga Ga13 1 0.53829118 0.18720613 0.53835731 1.0
Ga Ga14 1 0.11738955 0.88263546 0.50000384 1.0
Ga Ga15 1 0.11738352 0.49999624 0.88259879 1.0
Ga Ga16 1 0.88262012 0.11737130 0.49999339 1.0
Ga Ga17 1 0.53834597 0.53836181 0.18721669 1.0
Ga Ga18 1 0.46168607 0.81281081 0.46169513 1.0
Ga Ga19 1 0.49999996 0.88260422 0.11738952 1.0
Ga Ga20 1 0.18719984 0.53833996 0.53828106 1.0
Ga Ga21 1 0.49999976 0.11737154 0.88261866 1.0
Ga Ga22 1 0.46164821 0.46165249 0.81278554 1.0
Ga Ga23 1 0.81281839 0.46165970 0.46172627 1.0
Ga Ga24 1 0.00000796 0.00000342 0.99998868 1.0
Ga Ga25 1 0.88258843 0.49999016 0.11738202 1.0
