ErGa3

Traditional Materials TRA

MP-ID: mp-1184195 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

ErGa3

MP-ID

mp-1184195

Elements

Sites

Density

8.4014

g/cm³

Volume

148.80

Å³

Cell a

6.1950

Cell b

6.1950

Cell c

4.4771

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

Stability

Yes

Packing Fraction

0.7405

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
25.92	3.4374	26.2	(1,0,-1,1)
28.82	3.0975	11.1	(2,-1,-1,0)
33.40	2.6825	25.4	(2,0,-2,0)
39.15	2.3011	100.0	(2,0,-2,1)
40.29	2.2386	21.9	(0,0,0,2)
44.69	2.0278	7.7	(3,-1,-2,0)
49.34	1.8472	2.6	(3,-1,-2,1)
50.29	1.8143	5.0	(2,-1,-1,2)
51.07	1.7883	1.6	(3,0,-3,0)
53.30	1.7187	13.3	(2,0,-2,2)
55.32	1.6608	3.6	(3,0,-3,1)
59.71	1.5488	5.5	(2,2,-4,0)
59.71	1.5488	11.0	(4,-2,-2,0)
61.72	1.5029	5.9	(3,-1,-2,2)
64.85	1.4378	2.1	(1,0,-1,3)
66.18	1.4120	4.5	(4,-1,-3,1)
66.18	1.4120	2.3	(4,-3,-1,1)
70.17	1.3413	1.7	(4,0,-4,0)
72.48	1.3041	15.9	(2,0,-2,3)
73.74	1.2848	7.9	(4,0,-4,1)
73.74	1.2848	3.9	(4,-4,0,1)
74.50	1.2736	16.9	(4,-2,-2,2)
81.02	1.1868	1.5	(3,2,-5,1)
81.02	1.1868	3.0	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

-0.55843

eV/atom

Energy/atom

-17.62187

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.6219

eV/atom

Volume/atom

18.60

Å³

c/a Ratio

0.7227

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.641

Family

Binary Alloy

Matrix Element

Ga · 0.750

Related Tasks

Related computation task IDs (5)

aaadodtx aaadvrgc aaaekypz aaaeqffs aaafbbmu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184195

Reference Citation

The crystal structure and related material properties of ErGa3 were obtained from the Materials Project database (MP-ID: mp-1184195, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_ErGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19499239
_cell_length_b   6.19499239
_cell_length_c   4.47710091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErGa3
_chemical_formula_sum   'Er2 Ga6'
_cell_volume   148.80211126
_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
  Er  Er0  1  0.33333300  0.66666700  0.75000000  1.0
  Er  Er1  1  0.66666700  0.33333300  0.25000000  1.0
  Ga  Ga2  1  0.14690991  0.29381781  0.25000000  1.0
  Ga  Ga3  1  0.70618219  0.85309009  0.25000000  1.0
  Ga  Ga4  1  0.14690991  0.85309009  0.25000000  1.0
  Ga  Ga5  1  0.85309009  0.70618219  0.75000000  1.0
  Ga  Ga6  1  0.29381781  0.14690991  0.75000000  1.0
  Ga  Ga7  1  0.85309009  0.14690991  0.75000000  1.0

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