Basic Information
Formula
CeGa4Co9
MP-ID
mp-1006277
Elements
3
Sites
28
Density
8.5332
g/cm³
Volume
369.50
ų
Cell a
8.1043
Å
Cell b
8.1043
Å
Cell c
8.1043
Å
α Angle
121.17
°
β Angle
121.17
°
γ Angle
87.99
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 15.20 | 5.8302 | 1.2 | (1,1,-1) |
| 15.74 | 5.6293 | 5.6 | (1,-1,0) |
| 21.95 | 4.0497 | 4.1 | (2,0,-1) |
| 22.33 | 3.9805 | 1.3 | (1,-1,1) |
| 27.13 | 3.2874 | 14.7 | (2,0,-2) |
| 30.67 | 2.9151 | 1.4 | (2,2,-2) |
| 31.79 | 2.8146 | 13.0 | (2,-2,0) |
| 34.15 | 2.6254 | 1.9 | (3,0,-2) |
| 34.65 | 2.5886 | 36.0 | (2,2,-3) |
| 35.41 | 2.5347 | 28.9 | (3,-1,-1) |
| 35.66 | 2.5175 | 27.5 | (2,-2,1) |
| 38.27 | 2.3519 | 62.8 | (3,1,-3) |
| 38.97 | 2.3112 | 100.0 | (3,-1,-2) |
| 44.76 | 2.0248 | 1.3 | (4,0,-2) |
| 46.55 | 1.9508 | 52.5 | (3,2,-4) |
| 46.74 | 1.9434 | 9.9 | (3,3,-3) |
| 47.35 | 1.9198 | 64.7 | (4,-1,-2) |
| 47.73 | 1.9053 | 10.5 | (4,0,-3) |
| 47.75 | 1.9049 | 66.0 | (3,-2,-2) |
| 48.32 | 1.8835 | 2.4 | (3,-1,-3) |
| 48.52 | 1.8764 | 13.7 | (3,-3,0) |
| 49.63 | 1.8370 | 15.1 | (3,3,-4) |
| 51.14 | 1.7862 | 11.4 | (4,-2,-1) |
| 51.33 | 1.7801 | 10.0 | (3,-3,1) |
Energy Properties
Formation Energy/atom
-0.21400
eV/atom
Energy/atom
-6.08901
eV/atom
Energy above Hull
0.0240
eV/atom
Uncorrected Energy
-6.0890
eV/atom
Volume/atom
13.20
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.9458
μB
Mag. Ordering
FiM
Mag. Sites
20
Magnetization/Volume
0.037740
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.778
Family
Co-based Alloy
Matrix Element
Co · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006277
Reference Citation
The crystal structure and related material properties of CeGa4Co9 were obtained from the Materials Project database (MP-ID: mp-1006277, 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_CeGa4Co9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.10432878
_cell_length_b 8.10432878
_cell_length_c 8.10432878
_cell_angle_alpha 121.16678188
_cell_angle_beta 121.16678188
_cell_angle_gamma 87.99068222
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeGa4Co9
_chemical_formula_sum 'Ce2 Ga8 Co18'
_cell_volume 369.50365873
_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 0.75000000 0.75000000 0.00000000 1.0
Ce Ce1 1 0.25000000 0.25000000 0.00000000 1.0
Ga Ga2 1 0.80492900 0.30492800 0.86144600 1.0
Ga Ga3 1 0.44348200 0.94348300 0.13855500 1.0
Ga Ga4 1 0.69507300 0.55651800 0.50000000 1.0
Ga Ga5 1 0.05651700 0.19507200 0.50000000 1.0
Ga Ga6 1 0.19507300 0.69507300 0.13855500 1.0
Ga Ga7 1 0.55651700 0.05651700 0.86144600 1.0
Ga Ga8 1 0.94348300 0.80492800 0.50000000 1.0
Ga Ga9 1 0.30492800 0.44348300 0.50000000 1.0
Co Co10 1 0.20081200 0.06160400 0.26241500 1.0
Co Co11 1 0.79918600 0.93839700 0.73758600 1.0
Co Co12 1 0.29918700 0.56160300 0.86079000 1.0
Co Co13 1 0.70081100 0.43839600 0.13920900 1.0
Co Co14 1 0.43839800 0.29918700 0.73758600 1.0
Co Co15 1 0.56160300 0.70081100 0.26241500 1.0
Co Co16 1 0.93839700 0.20081200 0.13921100 1.0
Co Co17 1 0.06160400 0.79918700 0.86079100 1.0
Co Co18 1 0.49999900 0.00000000 0.49999900 1.0
Co Co19 1 0.00000000 0.49999900 0.49999900 1.0
Co Co20 1 0.28865000 0.78864900 0.72666900 1.0
Co Co21 1 0.06198000 0.56198100 0.27333200 1.0
Co Co22 1 0.21135100 0.93802000 0.49999900 1.0
Co Co23 1 0.43802100 0.71135200 0.50000200 1.0
Co Co24 1 0.71135200 0.21135100 0.27333200 1.0
Co Co25 1 0.93802000 0.43802100 0.72666900 1.0
Co Co26 1 0.56198100 0.28865000 0.50000200 1.0
Co Co27 1 0.78864900 0.06198000 0.49999900 1.0
