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Ce10Se19

Traditional Materials TRA

MP-ID: mp-652044 · Space group: P4_2/n (#86)

Materials Project API

Basic Information

Formula
Ce10Se19
MP-ID
mp-652044
Elements
2
Sites
58
Density
6.5506
g/cm³
Volume
1,470.98
ų
Cell a
9.3943
Å
Cell b
9.3943
Å
Cell c
16.6679
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)
2θd (Å)Ihkl
21.32 4.1670 12.2 (0,0,4)
21.82 4.0738 2.4 (2,1,1)
23.72 3.7515 42.4 (2,1,2)
26.60 3.3511 2.7 (2,1,3)
30.08 2.9707 45.2 (3,1,0)
30.21 2.9585 7.6 (2,1,4)
31.98 2.7983 63.3 (3,1,2)
32.22 2.7780 29.4 (0,0,6)
34.34 2.6114 3.4 (2,1,5)
34.85 2.5742 1.6 (3,2,1)
37.17 2.4189 100.0 (3,1,4)
38.15 2.3590 1.4 (3,2,3)
38.86 2.3172 55.7 (2,1,6)
39.94 2.2575 1.9 (4,1,1)
42.90 2.1081 1.4 (4,1,3)
43.06 2.1006 57.8 (4,2,0)
43.43 2.0835 4.6 (0,0,8)
44.66 2.0291 3.4 (3,1,6)
48.53 1.8758 7.0 (4,2,4)
48.79 1.8666 1.9 (2,1,8)
49.75 1.8329 11.6 (4,3,2)
52.76 1.7350 1.6 (5,2,1)
53.50 1.7128 2.9 (5,0,4)
54.79 1.6755 23.0 (4,2,6)
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Energy Properties

Formation Energy/atom
-1.94084
eV/atom
Energy/atom
-6.27849
eV/atom
Energy above Hull
0.0262
eV/atom
Uncorrected Energy
-5.9692
eV/atom
Volume/atom
25.36
ų
c/a Ratio
1.7743

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
17.1734
μB
Mag. Ordering
FM
Mag. Sites
20
Magnetization/Volume
0.011670
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Se · 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
0.678
Family
Binary Alloy
Matrix Element
Se · 0.655

Related Tasks

Related computation task IDs (2)
aaacadco aaacbbqb

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-652044
Reference Citation

The crystal structure and related material properties of Ce10Se19 were obtained from the Materials Project database (MP-ID: mp-652044, 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
Raw CIF Data 
# generated using pymatgen
data_Ce10Se19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39427300
_cell_length_b   9.39427300
_cell_length_c   16.66787600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce10Se19
_chemical_formula_sum   'Ce20 Se38'
_cell_volume   1470.97947984
_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  0.75000000  0.38107800  1.0
  Ce  Ce1  1  0.44843700  0.14708300  0.39233800  1.0
  Ce  Ce2  1  0.25000000  0.75000000  0.88107800  1.0
  Ce  Ce3  1  0.75000000  0.25000000  0.11892200  1.0
  Ce  Ce4  1  0.35291700  0.44843700  0.10766200  1.0
  Ce  Ce5  1  0.45709000  0.15095200  0.88005400  1.0
  Ce  Ce6  1  0.84904800  0.95709000  0.38005400  1.0
  Ce  Ce7  1  0.05156300  0.35291700  0.39233800  1.0
  Ce  Ce8  1  0.34904800  0.45709000  0.61994600  1.0
  Ce  Ce9  1  0.55156300  0.85291700  0.60766200  1.0
  Ce  Ce10  1  0.15095200  0.04291000  0.61994600  1.0
  Ce  Ce11  1  0.04291000  0.34904800  0.88005400  1.0
  Ce  Ce12  1  0.94843700  0.64708300  0.60766200  1.0
  Ce  Ce13  1  0.85291700  0.94843700  0.89233800  1.0
  Ce  Ce14  1  0.65095200  0.54291000  0.38005400  1.0
  Ce  Ce15  1  0.95709000  0.65095200  0.11994600  1.0
  Ce  Ce16  1  0.75000000  0.25000000  0.61892200  1.0
  Ce  Ce17  1  0.54291000  0.84904800  0.11994600  1.0
  Ce  Ce18  1  0.14708300  0.05156300  0.10766200  1.0
  Ce  Ce19  1  0.64708300  0.55156300  0.89233800  1.0
  Se  Se20  1  0.94141100  0.13078100  0.75009600  1.0
  Se  Se21  1  0.75000000  0.25000000  0.93416100  1.0
  Se  Se22  1  0.02565700  0.82862200  0.74978900  1.0
  Se  Se23  1  0.47434300  0.67137800  0.74978900  1.0
  Se  Se24  1  0.05858900  0.86921900  0.24990400  1.0
  Se  Se25  1  0.36921900  0.94141100  0.74990400  1.0
  Se  Se26  1  0.82862200  0.47434300  0.75021100  1.0
  Se  Se27  1  0.25000000  0.75000000  0.56583900  1.0
  Se  Se28  1  0.64993800  0.55352400  0.56514600  1.0
  Se  Se29  1  0.25000000  0.75000000  0.06583900  1.0
  Se  Se30  1  0.67137800  0.02565700  0.75021100  1.0
  Se  Se31  1  0.86921900  0.44141100  0.25009600  1.0
  Se  Se32  1  0.05352400  0.35006200  0.06514600  1.0
  Se  Se33  1  0.97434300  0.17137800  0.25021100  1.0
  Se  Se34  1  0.15210000  0.04879200  0.92737100  1.0
  Se  Se35  1  0.95120800  0.65210000  0.42737100  1.0
  Se  Se36  1  0.32862200  0.97434300  0.24978900  1.0
  Se  Se37  1  0.54879200  0.84790000  0.42737100  1.0
  Se  Se38  1  0.34790000  0.45120800  0.92737100  1.0
  Se  Se39  1  0.13078100  0.55858900  0.74990400  1.0
  Se  Se40  1  0.52565700  0.32862200  0.25021100  1.0
  Se  Se41  1  0.04879200  0.34790000  0.57262900  1.0
  Se  Se42  1  0.35006200  0.44647600  0.43485400  1.0
  Se  Se43  1  0.84790000  0.95120800  0.07262900  1.0
  Se  Se44  1  0.44141100  0.63078100  0.24990400  1.0
  Se  Se45  1  0.25000000  0.25000000  0.75000000  1.0
  Se  Se46  1  0.55858900  0.36921900  0.75009600  1.0
  Se  Se47  1  0.45120800  0.15210000  0.57262900  1.0
  Se  Se48  1  0.17137800  0.52565700  0.24978900  1.0
  Se  Se49  1  0.94647600  0.64993800  0.93485400  1.0
  Se  Se50  1  0.63078100  0.05858900  0.25009600  1.0
  Se  Se51  1  0.65210000  0.54879200  0.07262900  1.0
  Se  Se52  1  0.44647600  0.14993800  0.06514600  1.0
  Se  Se53  1  0.55352400  0.85006200  0.93485400  1.0
  Se  Se54  1  0.85006200  0.94647600  0.56514600  1.0
  Se  Se55  1  0.14993800  0.05352400  0.43485400  1.0
  Se  Se56  1  0.75000000  0.25000000  0.43416100  1.0
  Se  Se57  1  0.75000000  0.75000000  0.25000000  1.0
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