LaGa

传统材料 TRA

MP-ID: mp-1002133 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

LaGa

MP-ID

mp-1002133

Elements

Sites

Density

6.1968

g/cm³

Volume

111.81

Å³

Cell a

4.2573

Cell b

4.5901

Cell c

6.1649

α Angle

111.86

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
15.49	5.7218	3.8	(0,0,1)
20.85	4.2602	2.7	(0,1,-1)
26.09	3.4156	23.9	(1,0,1)
29.67	3.0114	100.0	(1,1,-1)
30.47	2.9337	25.4	(0,1,-2)
30.47	2.9337	25.4	(0,1,1)
31.27	2.8609	22.1	(0,0,2)
37.22	2.4157	28.0	(1,1,-2)
37.22	2.4157	28.0	(1,1,1)
37.89	2.3746	21.0	(1,0,2)
39.26	2.2950	28.3	(0,2,-1)
42.47	2.1286	22.7	(2,0,0)
47.74	1.9049	4.7	(1,2,-2)
47.74	1.9049	4.7	(1,2,0)
49.38	1.8457	3.0	(1,1,-3)
49.38	1.8457	3.0	(1,1,2)
51.02	1.7902	5.6	(0,2,-3)
51.02	1.7902	5.6	(0,2,1)
52.58	1.7406	13.7	(1,0,3)
53.16	1.7229	21.1	(2,1,-2)
53.67	1.7078	9.6	(2,0,2)
55.70	1.6502	6.7	(1,2,-3)
55.70	1.6502	6.7	(1,2,1)
59.20	1.5607	16.7	(2,2,-1)

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Energy Properties

Formation Energy/atom

-0.69579

eV/atom

Energy/atom

-21.28957

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.2896

eV/atom

Volume/atom

27.95

Å³

c/a Ratio

1.4481

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2342

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.002090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

La · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

La · 0.500

Related Tasks

Related computation task IDs (5)

aaadmuis aaaegycu aaaeuqwk aaafawer aaafjisc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1002133

Reference Citation

The crystal structure and related material properties of LaGa were obtained from the Materials Project database (MP-ID: mp-1002133, 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_LaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25725253
_cell_length_b   4.59008117
_cell_length_c   6.16492346
_cell_angle_alpha   111.85594365
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa
_chemical_formula_sum   'La2 Ga2'
_cell_volume   111.81057977
_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
  La  La0  1  0.25000000  0.13953973  0.27907946  1.0
  La  La1  1  0.75000000  0.86046027  0.72092054  1.0
  Ga  Ga2  1  0.25000000  0.43278541  0.86556882  1.0
  Ga  Ga3  1  0.75000000  0.56721459  0.13443118  1.0

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