ErGa

Traditional Materials TRA

MP-ID: mp-1018077 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

ErGa

MP-ID

mp-1018077

Elements

Sites

Density

8.5937

g/cm³

Volume

91.58

Å³

Cell a

4.0043

Cell b

4.2876

Cell c

5.7490

α Angle

111.89

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
22.35	3.9783	7.8	(0,1,0)
27.86	3.2024	28.2	(1,0,1)
31.70	2.8222	100.0	(1,1,0)
32.72	2.7372	20.5	(0,1,1)
32.72	2.7372	20.5	(0,1,-2)
33.60	2.6672	27.5	(0,0,2)
39.89	2.2597	25.6	(1,1,1)
39.89	2.2597	25.6	(1,1,-2)
40.64	2.2198	15.2	(1,0,2)
42.15	2.1438	25.4	(0,2,-1)
45.29	2.0021	20.7	(2,0,0)
51.07	1.7884	1.8	(2,1,0)
51.28	1.7815	5.4	(1,2,0)
51.28	1.7815	5.4	(1,2,-2)
53.12	1.7241	10.4	(1,1,2)
54.95	1.6709	6.8	(0,2,1)
54.95	1.6709	6.8	(0,2,-3)
56.64	1.6251	9.9	(1,0,3)
56.99	1.6160	8.5	(2,1,1)
56.99	1.6160	8.5	(2,1,-2)
57.56	1.6012	11.8	(2,0,2)
59.99	1.5421	4.7	(1,2,1)
59.99	1.5421	4.7	(1,2,-3)
63.59	1.4632	14.9	(2,2,-1)

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Energy Properties

Formation Energy/atom

-0.73137

eV/atom

Energy/atom

-23.41547

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.4155

eV/atom

Volume/atom

22.90

Å³

c/a Ratio

1.4357

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

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

Er · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Er · 0.500

Related Tasks

Related computation task IDs (5)

aaaciogb aaaeleek aaaeutwq aaafalis aaafdgvm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018077

Reference Citation

The crystal structure and related material properties of ErGa were obtained from the Materials Project database (MP-ID: mp-1018077, 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_ErGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00428021
_cell_length_b   4.28758560
_cell_length_c   5.74897456
_cell_angle_alpha   111.89457052
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErGa
_chemical_formula_sum   'Er2 Ga2'
_cell_volume   91.58314024
_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  0.25000000  0.13848737  0.27697474  1.0
  Er  Er1  1  0.75000000  0.86151263  0.72302526  1.0
  Ga  Ga2  1  0.25000000  0.42328106  0.84655911  1.0
  Ga  Ga3  1  0.75000000  0.57671894  0.15344089  1.0

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