Basic Information
Formula
Lu2Ga3Co
MP-ID
mp-31190
Elements
3
Sites
24
Density
9.2649
g/cm³
Volume
443.08
ų
Cell a
8.6538
Å
Cell b
8.6538
Å
Cell c
6.8318
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 17.57 | 5.0489 | 2.3 | (1,0,-1,1) |
| 23.74 | 3.7472 | 22.5 | (2,0,-2,0) |
| 26.09 | 3.4159 | 2.0 | (0,0,0,2) |
| 27.14 | 3.2855 | 2.7 | (2,0,-2,1) |
| 34.27 | 2.6166 | 18.3 | (3,-1,-2,1) |
| 35.56 | 2.5244 | 100.0 | (2,0,-2,2) |
| 38.37 | 2.3462 | 11.5 | (3,0,-3,1) |
| 41.44 | 2.1789 | 6.1 | (1,0,-1,3) |
| 41.75 | 2.1635 | 49.5 | (4,-2,-2,0) |
| 43.54 | 2.0786 | 1.5 | (4,-1,-3,0) |
| 46.67 | 1.9461 | 3.5 | (2,0,-2,3) |
| 48.59 | 1.8736 | 1.3 | (4,0,-4,0) |
| 51.46 | 1.7757 | 2.5 | (4,-1,-3,2) |
| 53.66 | 1.7080 | 6.1 | (0,0,0,4) |
| 54.53 | 1.6830 | 2.6 | (3,0,-3,3) |
| 55.08 | 1.6674 | 6.3 | (5,-2,-3,1) |
| 55.98 | 1.6427 | 18.4 | (4,0,-4,2) |
| 57.99 | 1.5905 | 4.1 | (5,-1,-4,1) |
| 59.48 | 1.5541 | 7.7 | (2,0,-2,4) |
| 60.29 | 1.5352 | 3.1 | (4,-1,-3,3) |
| 63.55 | 1.4641 | 5.3 | (5,0,-5,1) |
| 64.39 | 1.4469 | 1.8 | (4,0,-4,3) |
| 64.62 | 1.4423 | 1.1 | (6,-3,-3,0) |
| 68.36 | 1.3722 | 11.0 | (5,-2,-3,3) |
Energy Properties
Formation Energy/atom
-0.57441
eV/atom
Energy/atom
-4.78459
eV/atom
Energy above Hull
0.0019
eV/atom
Uncorrected Energy
-4.7846
eV/atom
Volume/atom
18.46
ų
c/a Ratio
0.7895
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0414
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000090
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.464
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31190
Reference Citation
The crystal structure and related material properties of Lu2Ga3Co were obtained from the Materials Project database (MP-ID: mp-31190, 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_Lu2Ga3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65382810
_cell_length_b 8.65382810
_cell_length_c 6.83180200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000074
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu2Ga3Co
_chemical_formula_sum 'Lu8 Ga12 Co4'
_cell_volume 443.08028609
_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
Lu Lu0 1 0.00000000 0.00000000 0.25000000 1.0
Lu Lu1 1 0.00000000 0.00000000 0.75000000 1.0
Lu Lu2 1 0.52639800 0.05279700 0.25000000 1.0
Lu Lu3 1 0.52639800 0.47360200 0.25000000 1.0
Lu Lu4 1 0.94720300 0.47360200 0.25000000 1.0
Lu Lu5 1 0.47360200 0.94720300 0.75000000 1.0
Lu Lu6 1 0.47360200 0.52639800 0.75000000 1.0
Lu Lu7 1 0.05279700 0.52639800 0.75000000 1.0
Ga Ga8 1 0.17274000 0.34548000 0.04711900 1.0
Ga Ga9 1 0.17274000 0.82726000 0.45288100 1.0
Ga Ga10 1 0.65452000 0.82726000 0.45288100 1.0
Ga Ga11 1 0.65452000 0.82726000 0.04711900 1.0
Ga Ga12 1 0.17274000 0.82726000 0.04711900 1.0
Ga Ga13 1 0.82726000 0.65452000 0.95288100 1.0
Ga Ga14 1 0.82726000 0.17274000 0.95288100 1.0
Ga Ga15 1 0.34548000 0.17274000 0.95288100 1.0
Ga Ga16 1 0.17274000 0.34548000 0.45288100 1.0
Ga Ga17 1 0.34548000 0.17274000 0.54711900 1.0
Ga Ga18 1 0.82726000 0.65452000 0.54711900 1.0
Ga Ga19 1 0.82726000 0.17274000 0.54711900 1.0
Co Co20 1 0.33333300 0.66666700 0.02444900 1.0
Co Co21 1 0.33333300 0.66666700 0.47555100 1.0
Co Co22 1 0.66666700 0.33333300 0.97555100 1.0
Co Co23 1 0.66666700 0.33333300 0.52444900 1.0
