Basic Information
Formula
Eu(Mo3S4)2
MP-ID
mp-991329
Elements
3
Sites
15
Density
6.2835
g/cm³
Volume
260.08
ų
Cell a
5.3151
Å
Cell b
7.5167
Å
Cell c
7.5167
Å
α Angle
60.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 13.60 | 6.5097 | 100.0 | (0,0,0,1) |
| 16.68 | 5.3151 | 18.4 | (1,0,-1,0) |
| 21.58 | 4.1171 | 89.2 | (1,0,-1,1) |
| 23.67 | 3.7584 | 65.9 | (0,1,-1,-1) |
| 27.40 | 3.2548 | 5.2 | (0,0,0,2) |
| 29.10 | 3.0687 | 62.8 | (1,1,-2,-1) |
| 32.25 | 2.7757 | 84.6 | (1,0,-1,2) |
| 36.52 | 2.4604 | 81.7 | (2,-1,-1,0) |
| 40.40 | 2.2328 | 85.4 | (1,1,-2,-2) |
| 41.62 | 2.1699 | 6.4 | (0,0,0,3) |
| 41.62 | 2.1699 | 28.3 | (2,2,-4,1) |
| 43.99 | 2.0585 | 8.1 | (2,0,-2,2) |
| 45.13 | 2.0089 | 31.5 | (1,0,-1,3) |
| 48.44 | 1.8792 | 2.4 | (0,2,-2,-2) |
| 48.44 | 1.8792 | 1.6 | (0,4,-4,2) |
| 50.55 | 1.8055 | 21.3 | (0,1,-1,-3) |
| 50.55 | 1.8055 | 51.7 | (0,4,-4,1) |
| 51.59 | 1.7717 | 14.7 | (1,2,-3,-2) |
| 53.61 | 1.7095 | 86.2 | (3,-1,-2,-1) |
| 54.60 | 1.6808 | 8.6 | (2,0,-2,3) |
| 56.55 | 1.6274 | 2.5 | (0,0,0,4) |
| 57.51 | 1.6026 | 9.4 | (3,1,-4,-1) |
| 59.39 | 1.5561 | 3.7 | (1,0,-1,4) |
| 59.39 | 1.5561 | 6.5 | (3,0,-3,2) |
Energy Properties
Formation Energy/atom
0.63122
eV/atom
Energy/atom
-16.65045
eV/atom
Energy above Hull
1.6689
eV/atom
Uncorrected Energy
-6.4548
eV/atom
Volume/atom
17.34
ų
c/a Ratio
1.4142
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.5351
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.025130
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
S · 0.533
Element Family
N/A
Solute Fraction
0.467
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.362
Family
S-rich Multi-Component
Matrix Element
S · 0.533
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-991329
Reference Citation
The crystal structure and related material properties of Eu(Mo3S4)2 were obtained from the Materials Project database (MP-ID: mp-991329, 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_Eu(Mo3S4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31512200
_cell_length_b 7.51671800
_cell_length_c 7.51671822
_cell_angle_alpha 60.00000099
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu(Mo3S4)2
_chemical_formula_sum 'Eu1 Mo6 S8'
_cell_volume 260.07607439
_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
Eu Eu0 1 0.00000000 0.00000000 0.00000000 1.0
Mo Mo1 1 0.58241800 0.43804400 0.22545000 1.0
Mo Mo2 1 0.41758200 0.56195600 0.77455000 1.0
Mo Mo3 1 0.77455000 0.58241800 0.56195600 1.0
Mo Mo4 1 0.22545000 0.41758200 0.43804400 1.0
Mo Mo5 1 0.43804400 0.77455000 0.41758200 1.0
Mo Mo6 1 0.56195600 0.22545000 0.58241800 1.0
S S7 1 0.87447200 0.25438400 0.37834400 1.0
S S8 1 0.12552800 0.74561600 0.62165600 1.0
S S9 1 0.25438400 0.62165600 0.12552800 1.0
S S10 1 0.74561600 0.37834400 0.87447200 1.0
S S11 1 0.75694700 0.75694700 0.24305300 1.0
S S12 1 0.24305300 0.24305300 0.75694700 1.0
S S13 1 0.62165600 0.87447200 0.74561600 1.0
S S14 1 0.37834400 0.12552800 0.25438400 1.0
