Basic Information
Formula
CeSbAu
MP-ID
mp-1095307
Elements
3
Sites
12
Density
9.5894
g/cm³
Volume
317.82
ų
Cell a
4.6438
Å
Cell b
4.6438
Å
Cell c
17.0181
Å
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
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 10.40 | 8.5090 | 13.5 | (0,0,0,2) |
| 20.88 | 4.2545 | 5.2 | (0,0,0,4) |
| 22.72 | 3.9138 | 19.4 | (1,0,-1,1) |
| 24.48 | 3.6360 | 3.1 | (1,0,-1,2) |
| 27.18 | 3.2808 | 13.0 | (1,0,-1,3) |
| 30.59 | 2.9226 | 100.0 | (1,0,-1,4) |
| 31.54 | 2.8363 | 4.2 | (0,0,0,6) |
| 34.52 | 2.5980 | 17.3 | (1,0,-1,5) |
| 38.78 | 2.3219 | 86.3 | (2,-1,-1,0) |
| 38.85 | 2.3179 | 3.7 | (1,0,-1,6) |
| 40.26 | 2.2400 | 3.5 | (2,-1,-1,2) |
| 42.50 | 2.1273 | 2.9 | (0,0,0,8) |
| 43.50 | 2.0805 | 32.8 | (1,0,-1,7) |
| 44.45 | 2.0381 | 4.6 | (2,-1,-1,4) |
| 45.42 | 1.9969 | 1.1 | (2,-2,0,1) |
| 45.42 | 1.9969 | 2.3 | (2,0,-2,1) |
| 48.00 | 1.8953 | 1.8 | (2,0,-2,3) |
| 48.41 | 1.8804 | 6.8 | (1,0,-1,8) |
| 50.18 | 1.8180 | 8.4 | (2,-2,0,4) |
| 50.18 | 1.8180 | 16.8 | (2,0,-2,4) |
| 50.82 | 1.7967 | 4.7 | (2,-1,-1,6) |
| 50.82 | 1.7967 | 2.3 | (1,1,-2,6) |
| 52.88 | 1.7313 | 1.8 | (2,-2,0,5) |
| 52.88 | 1.7313 | 3.5 | (2,0,-2,5) |
Energy Properties
Formation Energy/atom
-0.82921
eV/atom
Energy/atom
-5.27582
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.7392
eV/atom
Volume/atom
26.48
ų
c/a Ratio
3.6647
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9492
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.006130
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ce · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Ce-rich Multi-Component
Matrix Element
Ce · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1095307
Reference Citation
The crystal structure and related material properties of CeSbAu were obtained from the Materials Project database (MP-ID: mp-1095307, 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_CeSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64375633
_cell_length_b 4.64375633
_cell_length_c 17.01806600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001004
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeSbAu
_chemical_formula_sum 'Ce4 Sb4 Au4'
_cell_volume 317.81883885
_cell_formula_units_Z 4
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 0.50002735 1.0
Ce Ce1 1 -0.00000000 0.00000000 0.99995981 1.0
Ce Ce2 1 -0.00000000 0.00000000 0.25085906 1.0
Ce Ce3 1 -0.00000000 0.00000000 0.74913822 1.0
Sb Sb4 1 0.33333300 0.66666700 0.38948698 1.0
Sb Sb5 1 0.66666700 0.33333300 0.61059283 1.0
Sb Sb6 1 0.66666700 0.33333300 0.88918167 1.0
Sb Sb7 1 0.33333300 0.66666700 0.11076532 1.0
Au Au8 1 0.66666700 0.33333300 0.33813490 1.0
Au Au9 1 0.33333300 0.66666700 0.66187407 1.0
Au Au10 1 0.33333300 0.66666700 0.83658015 1.0
Au Au11 1 0.66666700 0.33333300 0.16339764 1.0
