Ga
传统材料 TRAMP-ID: mp-10021 · Space group: Cmcm (#63)
Basic Information
Formula
Ga
MP-ID
mp-10021
Elements
1
Sites
2
Density
6.3646
g/cm³
Volume
36.38
ų
Cell a
2.7784
Å
Cell b
3.2816
Å
Cell c
4.2104
Å
α Angle
90.00
°
β Angle
108.61
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 22.28 | 3.9903 | 2.7 | (0,0,1) |
| 34.05 | 2.6332 | 24.9 | (1,0,0) |
| 34.30 | 2.6145 | 24.1 | (1,0,-1) |
| 35.42 | 2.5346 | 100.0 | (0,1,1) |
| 44.09 | 2.0538 | 30.5 | (1,1,0) |
| 44.30 | 2.0449 | 30.4 | (1,1,-1) |
| 45.46 | 1.9951 | 23.3 | (0,0,2) |
| 47.02 | 1.9325 | 15.3 | (1,0,1) |
| 47.60 | 1.9105 | 14.9 | (1,0,-2) |
| 53.77 | 1.7048 | 1.9 | (0,1,2) |
| 55.16 | 1.6652 | 8.7 | (1,1,1) |
| 55.67 | 1.6511 | 8.3 | (1,1,-2) |
| 56.05 | 1.6408 | 13.1 | (0,2,0) |
| 67.23 | 1.3926 | 6.5 | (1,2,0) |
| 67.32 | 1.3909 | 1.5 | (1,0,2) |
| 67.38 | 1.3898 | 6.4 | (1,2,-1) |
| 67.42 | 1.3891 | 7.3 | (2,0,-1) |
| 68.08 | 1.3772 | 1.4 | (1,0,-3) |
| 74.03 | 1.2806 | 8.8 | (1,1,2) |
| 74.76 | 1.2699 | 8.6 | (1,1,-3) |
| 74.94 | 1.2673 | 10.0 | (0,2,2) |
| 76.10 | 1.2508 | 7.0 | (1,2,1) |
| 76.54 | 1.2448 | 6.9 | (1,2,-2) |
| 77.42 | 1.2327 | 8.4 | (0,1,3) |
Energy Properties
Formation Energy/atom
0.08339
eV/atom
Energy/atom
-11.35938
eV/atom
Energy above Hull
0.0834
eV/atom
Uncorrected Energy
-11.3594
eV/atom
Volume/atom
18.19
ų
c/a Ratio
1.5154
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
55.429
GPa
GVRH
46.698
GPa
Young's Modulus E
109.378
GPa
Poisson Ratio ν
0.171
Pugh Ratio K/G
1.187
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-3.546
Lame λ
24.297
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.517
Family
Pure Metal
Matrix Element
Ga · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10021
Reference Citation
The crystal structure and related material properties of Ga were obtained from the Materials Project database (MP-ID: mp-10021, 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_Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77842208
_cell_length_b 3.28160879
_cell_length_c 4.21035475
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.60716858
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga
_chemical_formula_sum Ga2
_cell_volume 36.38209114
_cell_formula_units_Z 2
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
Ga Ga0 1 0.86540373 0.25000000 0.72983267 1.0
Ga Ga1 1 0.13459627 0.75000000 0.27016633 1.0
