Basic Information
Formula
CeS
MP-ID
mp-1006886
Elements
2
Sites
2
Density
6.5976
g/cm³
Volume
43.34
ų
Cell a
3.5125
Å
Cell b
3.5125
Å
Cell c
3.5125
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.36 | 3.5125 | 46.6 | (1,0,0) |
| 36.17 | 2.4837 | 100.0 | (1,1,0) |
| 44.69 | 2.0279 | 14.4 | (1,1,1) |
| 52.07 | 1.7563 | 17.2 | (2,0,0) |
| 58.78 | 1.5708 | 19.5 | (2,1,0) |
| 65.04 | 1.4340 | 34.8 | (2,1,1) |
| 76.75 | 1.2419 | 10.8 | (2,2,0) |
| 82.36 | 1.1708 | 9.3 | (3,0,0) |
| 87.90 | 1.1108 | 15.8 | (3,1,0) |
Energy Properties
Formation Energy/atom
-1.86964
eV/atom
Energy/atom
-21.30698
eV/atom
Energy above Hull
0.3721
eV/atom
Uncorrected Energy
-6.7084
eV/atom
Volume/atom
21.67
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
1.6453
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.037970
μB/ų
Elastic Properties
KVRH
119.446
GPa
GVRH
40.563
GPa
Young's Modulus E
109.315
GPa
Poisson Ratio ν
0.347
Pugh Ratio K/G
2.945
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.102
Lame λ
92.404
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.344
Family
Binary Alloy
Matrix Element
Ce · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006886
Reference Citation
The crystal structure and related material properties of CeS were obtained from the Materials Project database (MP-ID: mp-1006886, 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_CeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51250100
_cell_length_b 3.51250100
_cell_length_c 3.51250100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeS
_chemical_formula_sum 'Ce1 S1'
_cell_volume 43.33605459
_cell_formula_units_Z 1
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 0.00000000 0.00000000 0.00000000 1.0
S S1 1 0.50000000 0.50000000 0.50000000 1.0
