Basic Information
Formula
Mg2Ga5Cu6
MP-ID
mp-30910
Elements
3
Sites
39
Density
7.0366
g/cm³
Volume
551.14
ų
Cell a
8.1989
Å
Cell b
8.1989
Å
Cell c
8.1989
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3
Point Group
m-3
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.28 | 5.7975 | 21.9 | (1,1,0) |
| 18.75 | 4.7336 | 4.6 | (1,1,1) |
| 21.68 | 4.0994 | 2.8 | (2,0,0) |
| 24.27 | 3.6667 | 20.0 | (2,1,0) |
| 26.63 | 3.3472 | 1.7 | (2,1,1) |
| 30.85 | 2.8987 | 2.6 | (2,2,0) |
| 32.77 | 2.7330 | 8.5 | (3,0,0) |
| 34.60 | 2.5927 | 3.1 | (3,1,0) |
| 36.34 | 2.4721 | 1.7 | (1,3,1) |
| 38.02 | 2.3668 | 18.2 | (2,2,2) |
| 39.63 | 2.2740 | 13.3 | (3,2,0) |
| 41.20 | 2.1912 | 33.9 | (2,3,1) |
| 41.20 | 2.1912 | 17.0 | (3,2,1) |
| 44.19 | 2.0497 | 44.2 | (4,0,0) |
| 45.62 | 1.9885 | 100.0 | (4,1,0) |
| 47.02 | 1.9325 | 10.2 | (1,4,1) |
| 47.02 | 1.9325 | 4.5 | (4,1,1) |
| 49.73 | 1.8333 | 13.9 | (4,2,0) |
| 51.05 | 1.7891 | 6.6 | (4,2,1) |
| 56.09 | 1.6398 | 6.3 | (5,0,0) |
| 57.30 | 1.6079 | 3.3 | (1,5,0) |
| 57.30 | 1.6079 | 1.4 | (4,3,1) |
| 60.84 | 1.5225 | 1.6 | (2,5,0) |
| 60.84 | 1.5225 | 2.3 | (4,3,2) |
Energy Properties
Formation Energy/atom
-0.18075
eV/atom
Energy/atom
-3.48818
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.2385
eV/atom
Volume/atom
14.13
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.669
Family
Cu-based Alloy
Matrix Element
Cu · 0.462
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30910
Reference Citation
The crystal structure and related material properties of Mg2Ga5Cu6 were obtained from the Materials Project database (MP-ID: mp-30910, 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_Mg2Ga5Cu6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19888214
_cell_length_b 8.19888302
_cell_length_c 8.19888309
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000056
_cell_angle_gamma 89.99999881
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2Ga5Cu6
_chemical_formula_sum 'Mg6 Ga15 Cu18'
_cell_volume 551.14265904
_cell_formula_units_Z 3
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
Mg Mg0 1 0.81868181 0.00000002 0.49999998 1.0
Mg Mg1 1 -0.00000000 0.49999997 0.81868185 1.0
Mg Mg2 1 0.49999998 0.81868188 0.00000004 1.0
Mg Mg3 1 0.00000003 0.50000005 0.18131814 1.0
Mg Mg4 1 0.49999998 0.18131817 0.00000002 1.0
Mg Mg5 1 0.18131829 0.00000005 0.49999993 1.0
Ga Ga6 1 0.28195292 0.71804708 0.28195297 1.0
Ga Ga7 1 0.71804706 0.28195293 0.28195294 1.0
Ga Ga8 1 0.28195296 0.28195294 0.71804705 1.0
Ga Ga9 1 0.71804710 0.71804705 0.71804705 1.0
Ga Ga10 1 0.71804699 0.28195292 0.71804702 1.0
Ga Ga11 1 0.28195293 0.71804710 0.71804704 1.0
Ga Ga12 1 0.71804707 0.71804707 0.28195294 1.0
Ga Ga13 1 0.28195289 0.28195294 0.28195302 1.0
Ga Ga14 1 0.66387903 0.49999985 0.00000004 1.0
Ga Ga15 1 0.49999986 0.00000010 0.66387892 1.0
Ga Ga16 1 0.00000006 0.66387906 0.50000002 1.0
Ga Ga17 1 0.50000010 0.00000004 0.33612104 1.0
Ga Ga18 1 0.00000002 0.33612101 0.49999978 1.0
Ga Ga19 1 0.33612100 0.50000012 0.00000011 1.0
Ga Ga20 1 0.00000002 0.00000006 0.00000004 1.0
Cu Cu21 1 0.00000004 0.83638102 0.25739523 1.0
Cu Cu22 1 -0.00000014 0.16361867 0.74260459 1.0
Cu Cu23 1 0.00000004 0.83638094 0.74260555 1.0
Cu Cu24 1 0.16361904 0.74260571 0.00000000 1.0
Cu Cu25 1 0.74260501 -0.00000001 0.83638084 1.0
Cu Cu26 1 0.74260576 0.00000016 0.16361908 1.0
Cu Cu27 1 0.83638085 0.25739453 0.00000009 1.0
Cu Cu28 1 0.25739450 0.00000027 0.83638098 1.0
Cu Cu29 1 0.83638122 0.74260490 0.00000032 1.0
Cu Cu30 1 0.27529682 0.49999986 0.49999980 1.0
Cu Cu31 1 0.49999974 0.27529664 0.49999972 1.0
Cu Cu32 1 0.50000008 0.49999972 0.27529667 1.0
Cu Cu33 1 0.49999982 0.72470340 0.50000003 1.0
Cu Cu34 1 0.49999990 0.49999973 0.72470333 1.0
Cu Cu35 1 0.72470320 0.49999979 0.49999996 1.0
Cu Cu36 1 0.00000004 0.16361905 0.25739436 1.0
Cu Cu37 1 0.25739498 0.00000013 0.16361931 1.0
Cu Cu38 1 0.16361902 0.25739509 0.00000021 1.0
