Ce10S19
Traditional Materials TRAMP-ID: mp-645688 · Space group: P4_2/n (#86)
Basic Information
Formula
Ce10S19
MP-ID
mp-645688
Elements
2
Sites
58
Density
5.2357
g/cm³
Volume
1,275.22
ų
Cell a
8.9301
Å
Cell b
8.9301
Å
Cell c
15.9908
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4_2/n
Point Group
4/m
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 11.07 | 7.9954 | 2.1 | (0,0,2) |
| 22.24 | 3.9977 | 28.7 | (0,0,4) |
| 24.92 | 3.5728 | 100.0 | (2,1,2) |
| 27.92 | 3.1961 | 1.2 | (2,1,3) |
| 29.67 | 3.0109 | 2.0 | (1,0,5) |
| 31.68 | 2.8240 | 48.9 | (3,1,0) |
| 33.63 | 2.6651 | 13.5 | (0,0,6) |
| 33.66 | 2.6628 | 17.6 | (3,1,2) |
| 35.98 | 2.4964 | 3.9 | (2,1,5) |
| 39.05 | 2.3065 | 62.4 | (3,1,4) |
| 40.70 | 2.2168 | 39.7 | (2,1,6) |
| 42.06 | 2.1482 | 1.5 | (1,1,7) |
| 42.10 | 2.1463 | 1.1 | (4,1,1) |
| 44.55 | 2.0337 | 1.3 | (2,0,7) |
| 45.19 | 2.0066 | 1.1 | (4,1,3) |
| 45.37 | 1.9989 | 4.1 | (0,0,8) |
| 45.42 | 1.9968 | 29.2 | (4,2,0) |
| 46.87 | 1.9383 | 6.2 | (3,1,6) |
| 51.10 | 1.7875 | 5.0 | (2,1,8) |
| 51.13 | 1.7864 | 15.2 | (4,2,4) |
| 52.50 | 1.7431 | 26.9 | (5,0,2) |
| 55.73 | 1.6494 | 1.1 | (5,2,1) |
| 56.40 | 1.6315 | 2.1 | (3,1,8) |
| 57.69 | 1.5981 | 8.7 | (4,2,6) |
Energy Properties
Formation Energy/atom
-2.09333
eV/atom
Energy/atom
-17.99170
eV/atom
Energy above Hull
0.0182
eV/atom
Uncorrected Energy
-6.5124
eV/atom
Volume/atom
21.99
ų
c/a Ratio
1.7907
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
19.0563
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.014940
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
S · 0.655
Element Family
N/A
Solute Fraction
0.345
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.684
Family
Binary Alloy
Matrix Element
S · 0.655
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-645688
Reference Citation
The crystal structure and related material properties of Ce10S19 were obtained from the Materials Project database (MP-ID: mp-645688, 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_Ce10S19
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93011800
_cell_length_b 8.93011800
_cell_length_c 15.99080900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce10S19
_chemical_formula_sum 'Ce20 S38'
_cell_volume 1275.21916516
_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 0.25000000 0.38684500 1.0
Ce Ce1 1 0.84865400 0.95917200 0.62204000 1.0
Ce Ce2 1 0.65134600 0.54082800 0.62204000 1.0
Ce Ce3 1 0.44458400 0.14641300 0.60184200 1.0
Ce Ce4 1 0.45917200 0.15134600 0.12204000 1.0
Ce Ce5 1 0.25000000 0.75000000 0.11315500 1.0
Ce Ce6 1 0.04082800 0.34865400 0.12204000 1.0
Ce Ce7 1 0.25000000 0.75000000 0.61315500 1.0
Ce Ce8 1 0.15134600 0.04082800 0.37796000 1.0
Ce Ce9 1 0.14641300 0.05541600 0.89815800 1.0
Ce Ce10 1 0.55541600 0.85358700 0.39815800 1.0
Ce Ce11 1 0.54082800 0.84865400 0.87796000 1.0
Ce Ce12 1 0.94458400 0.64641300 0.39815800 1.0
Ce Ce13 1 0.75000000 0.25000000 0.88684500 1.0
Ce Ce14 1 0.05541600 0.35358700 0.60184200 1.0
Ce Ce15 1 0.85358700 0.94458400 0.10184200 1.0
Ce Ce16 1 0.95917200 0.65134600 0.87796000 1.0
Ce Ce17 1 0.34865400 0.45917200 0.37796000 1.0
Ce Ce18 1 0.35358700 0.44458400 0.89815800 1.0
Ce Ce19 1 0.64641300 0.55541600 0.10184200 1.0
S S20 1 0.04868200 0.34844900 0.42449500 1.0
S S21 1 0.55360600 0.85203800 0.06278200 1.0
S S22 1 0.35203800 0.44639400 0.56278200 1.0
S S23 1 0.19424100 0.52841800 0.74918300 1.0
S S24 1 0.47158200 0.69424100 0.24918300 1.0
S S25 1 0.30575900 0.97158200 0.74918300 1.0
S S26 1 0.80575900 0.47158200 0.25081700 1.0
S S27 1 0.75000000 0.25000000 0.06734400 1.0
S S28 1 0.45131800 0.15155100 0.42449500 1.0
S S29 1 0.14796200 0.05360600 0.56278200 1.0
S S30 1 0.64796200 0.55360600 0.43721800 1.0
S S31 1 0.61363500 0.07741400 0.75006900 1.0
S S32 1 0.07741400 0.88636500 0.74993100 1.0
S S33 1 0.42258600 0.61363500 0.74993100 1.0
S S34 1 0.02841800 0.80575900 0.24918300 1.0
S S35 1 0.57741400 0.38636500 0.25006900 1.0
S S36 1 0.95131800 0.65155100 0.57550500 1.0
S S37 1 0.88636500 0.42258600 0.75006900 1.0
S S38 1 0.69424100 0.02841800 0.25081700 1.0
S S39 1 0.25000000 0.75000000 0.43265600 1.0
S S40 1 0.34844900 0.45131800 0.07550500 1.0
S S41 1 0.38636500 0.92258600 0.24993100 1.0
S S42 1 0.75000000 0.75000000 0.75000000 1.0
S S43 1 0.54868200 0.84844900 0.57550500 1.0
S S44 1 0.52841800 0.30575900 0.75081700 1.0
S S45 1 0.92258600 0.11363500 0.25006900 1.0
S S46 1 0.65155100 0.54868200 0.92449500 1.0
S S47 1 0.44639400 0.14796200 0.93721800 1.0
S S48 1 0.94639400 0.64796200 0.06278200 1.0
S S49 1 0.05360600 0.35203800 0.93721800 1.0
S S50 1 0.84844900 0.95131800 0.92449500 1.0
S S51 1 0.25000000 0.25000000 0.25000000 1.0
S S52 1 0.97158200 0.19424100 0.75081700 1.0
S S53 1 0.85203800 0.94639400 0.43721800 1.0
S S54 1 0.11363500 0.57741400 0.24993100 1.0
S S55 1 0.15155100 0.04868200 0.07550500 1.0
S S56 1 0.25000000 0.75000000 0.93265600 1.0
S S57 1 0.75000000 0.25000000 0.56734400 1.0
