CeGa

Traditional Materials TRA

MP-ID: mp-1018276 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

CeGa

MP-ID

mp-1018276

Elements

Sites

Density

6.6161

g/cm³

Volume

105.33

Å³

Cell a

4.1786

Cell b

4.4592

Cell c

6.0769

α Angle

111.52

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
15.68	5.6531	1.8	(0,0,1)
21.42	4.1482	1.1	(0,1,-1)
21.42	4.1482	1.1	(0,1,0)
26.53	3.3602	23.5	(1,0,1)
30.36	2.9439	100.0	(1,1,-1)
31.07	2.8784	26.5	(0,1,-2)
31.07	2.8784	26.5	(0,1,1)
31.66	2.8265	20.6	(0,0,2)
37.96	2.3704	47.2	(1,1,-2)
38.45	2.3412	24.8	(1,0,2)
40.46	2.2296	26.7	(0,2,-1)
43.31	2.0893	21.9	(2,0,0)
49.03	1.8578	8.9	(1,2,-2)
50.23	1.8163	3.4	(1,1,-3)
50.23	1.8163	3.4	(1,1,2)
52.26	1.7505	5.0	(0,2,-3)
52.26	1.7505	5.0	(0,2,1)
53.33	1.7178	11.6	(1,0,3)
54.25	1.6908	10.9	(2,1,-2)
54.25	1.6908	10.9	(2,1,1)
54.63	1.6801	8.7	(2,0,2)
57.04	1.6146	7.7	(1,2,-3)
57.04	1.6146	7.7	(1,2,1)
60.75	1.5245	15.9	(2,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.62570

eV/atom

Energy/atom

-21.76740

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7674

eV/atom

Volume/atom

26.33

Å³

c/a Ratio

1.4543

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.5509

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.024220

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 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

Ce · 0.500

Related Tasks

Related computation task IDs (5)

aaaciowj aaaegybe aaaeusxa aaafascg aaafbvyh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018276

Reference Citation

The crystal structure and related material properties of CeGa were obtained from the Materials Project database (MP-ID: mp-1018276, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_CeGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17855348
_cell_length_b   4.45919574
_cell_length_c   6.07684616
_cell_angle_alpha   111.52460587
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeGa
_chemical_formula_sum   'Ce2 Ga2'
_cell_volume   105.33316433
_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
  Ce  Ce0  1  0.25000000  0.14341450  0.28682900  1.0
  Ce  Ce1  1  0.75000000  0.85658550  0.71317100  1.0
  Ga  Ga2  1  0.25000000  0.43262224  0.86524348  1.0
  Ga  Ga3  1  0.75000000  0.56737776  0.13475652  1.0

Get direct link