Ga

传统材料 TRA

MP-ID: mp-1007857 · Space group: Cmce (#64)

Materials Project API

Basic Information

Formula

MP-ID

mp-1007857

Elements

Sites

Density

6.4432

g/cm³

Volume

71.88

Å³

Cell a

3.0362

Cell b

3.0362

Cell c

7.9167

α Angle

90.00

β Angle

90.00

γ Angle

99.98

Space Group

Cmce

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 20)

2θ	d (Å)	I	hkl
31.99	2.7974	2.8	(1,0,1)
37.70	2.3860	100.0	(1,0,2)
38.72	2.3256	20.8	(1,-1,0)
40.43	2.2313	2.9	(1,-1,1)
45.85	1.9792	14.7	(0,0,4)
45.86	1.9786	1.0	(1,0,3)
46.52	1.9520	14.1	(1,1,0)
52.44	1.7447	1.3	(1,-1,3)
61.53	1.5072	10.2	(1,-1,4)
62.08	1.4951	10.0	(2,0,0)
63.30	1.4692	1.5	(2,0,1)
65.89	1.4176	2.7	(2,-1,1)
67.38	1.3898	8.9	(1,1,4)
69.41	1.3540	11.6	(2,-1,2)
75.12	1.2647	1.9	(2,-1,3)
79.38	1.2072	10.6	(1,0,6)
80.37	1.1948	10.3	(2,1,2)
80.51	1.1930	9.2	(2,0,4)
83.06	1.1628	1.3	(2,-2,0)
84.15	1.1505	1.1	(2,-2,1)

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Energy Properties

Formation Energy/atom

0.12454

eV/atom

Energy/atom

-11.31824

eV/atom

Energy above Hull

0.1245

eV/atom

Uncorrected Energy

-11.3182

eV/atom

Volume/atom

17.97

Å³

c/a Ratio

2.6074

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

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

Score

0.490

Family

Pure Metal

Matrix Element

Ga · 1.000

Related Tasks

Related computation task IDs (5)

aaadnpgb aaadrigk aaaetkwm aaafxcng aaafzvzw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1007857

Reference Citation

The crystal structure and related material properties of Ga were obtained from the Materials Project database (MP-ID: mp-1007857, 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   3.03622010
_cell_length_b   3.03622010
_cell_length_c   7.91666100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.98230382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga
_chemical_formula_sum   Ga4
_cell_volume   71.87595697
_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
  Ga  Ga0  1  0.22012207  0.77987793  0.12570824  1.0
  Ga  Ga1  1  0.77987793  0.22012207  0.87429176  1.0
  Ga  Ga2  1  0.27987793  0.72012207  0.62570824  1.0
  Ga  Ga3  1  0.72012207  0.27987793  0.37429176  1.0

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