MnGa
传统材料 TRAMP-ID: mp-1001836 · Space group: P4/mmm (#123)
Basic Information
Formula
MnGa
MP-ID
mp-1001836
Elements
2
Sites
2
Density
7.6677
g/cm³
Volume
27.00
ų
Cell a
2.6838
Å
Cell b
2.6838
Å
Cell c
3.7481
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.74 | 3.7481 | 1.7 | (0,0,1) |
| 33.39 | 2.6838 | 1.6 | (1,0,0) |
| 41.38 | 2.1821 | 100.0 | (1,0,1) |
| 47.94 | 1.8978 | 32.0 | (1,1,0) |
| 48.58 | 1.8740 | 15.3 | (0,0,2) |
| 70.13 | 1.3419 | 9.5 | (2,0,0) |
| 70.64 | 1.3335 | 18.6 | (1,1,2) |
| 84.82 | 1.1431 | 22.2 | (2,1,1) |
| 85.79 | 1.1326 | 10.8 | (1,0,3) |
| 89.92 | 1.0911 | 9.7 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.27264
eV/atom
Energy/atom
-13.33570
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.3357
eV/atom
Volume/atom
13.50
ų
c/a Ratio
1.3965
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.8425
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.105290
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.789
Family
Binary Alloy
Matrix Element
Mn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1001836
Reference Citation
The crystal structure and related material properties of MnGa were obtained from the Materials Project database (MP-ID: mp-1001836, 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 2.68382886
_cell_length_b 2.68382886
_cell_length_c 3.74805996
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnGa
_chemical_formula_sum 'Mn1 Ga1'
_cell_volume 26.99704108
_cell_formula_units_Z 1
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 0.50000000 0.50000000 0.50000000 1.0
Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1.0
