Basic Information
Formula
Sm5W2C7
MP-ID
mp-3295374
Elements
3
Sites
14
Density
9.3076
g/cm³
Volume
214.72
ų
Cell a
8.6331
Å
Cell b
8.6331
Å
Cell c
3.4897
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
124.35
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
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 |
|---|---|---|---|
| 11.59 | 7.6349 | 22.7 | (1,-1,0,0) |
| 12.42 | 7.1274 | 8.8 | (1,0,-1,0) |
| 23.30 | 3.8175 | 5.0 | (2,-2,0,0) |
| 24.99 | 3.5637 | 3.5 | (2,0,-2,0) |
| 28.12 | 3.1739 | 2.7 | (1,-1,0,1) |
| 28.48 | 3.1342 | 34.3 | (1,0,-1,1) |
| 31.32 | 2.8558 | 39.8 | (3,-2,-1,0) |
| 32.30 | 2.7713 | 71.1 | (3,-1,-2,0) |
| 33.05 | 2.7105 | 12.1 | (2,-1,-1,1) |
| 33.88 | 2.6457 | 18.5 | (2,1,-3,0) |
| 33.88 | 2.6457 | 18.5 | (1,2,-3,0) |
| 33.98 | 2.6380 | 88.1 | (1,1,-2,1) |
| 34.83 | 2.5757 | 100.0 | (2,-2,0,1) |
| 35.27 | 2.5450 | 1.7 | (3,-3,0,0) |
| 36.02 | 2.4933 | 5.2 | (2,0,-2,1) |
| 37.87 | 2.3758 | 16.6 | (3,0,-3,0) |
| 40.83 | 2.2101 | 15.3 | (3,-2,-1,1) |
| 41.61 | 2.1702 | 1.2 | (3,-1,-2,1) |
| 42.90 | 2.1083 | 1.4 | (2,1,-3,1) |
| 42.95 | 2.1056 | 7.4 | (4,-3,-1,0) |
| 44.94 | 2.0171 | 1.4 | (4,-1,-3,0) |
| 44.99 | 2.0148 | 11.0 | (2,2,-4,0) |
| 46.23 | 1.9639 | 8.7 | (3,0,-3,1) |
| 46.62 | 1.9481 | 1.7 | (3,1,-4,0) |
Energy Properties
Formation Energy/atom
-0.39509
eV/atom
Energy/atom
-23.32587
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.3259
eV/atom
Volume/atom
15.34
ų
c/a Ratio
0.4042
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0024
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.467
Family
Interstitial Alloy
Matrix Element
C · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295374
Reference Citation
The crystal structure and related material properties of Sm5W2C7 were obtained from the Materials Project database (MP-ID: mp-3295374, 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_Sm5W2C7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63305264
_cell_length_b 8.63305227
_cell_length_c 3.48968053
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 124.35167533
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm5W2C7
_chemical_formula_sum 'Sm5 W2 C7'
_cell_volume 214.72306726
_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
Sm Sm0 1 0.50000000 0.50000000 0.00000000 1.0
Sm Sm1 1 0.06805195 0.32618794 0.50000000 1.0
Sm Sm2 1 0.93194805 0.67381206 0.50000000 1.0
Sm Sm3 1 0.67381206 0.93194805 0.50000000 1.0
Sm Sm4 1 0.32618794 0.06805195 0.50000000 1.0
W W5 1 0.71275222 0.28724778 0.00000000 1.0
W W6 1 0.28724778 0.71275222 0.00000000 1.0
C C7 1 0.63008130 0.36991870 0.50000000 1.0
C C8 1 0.36991870 0.63008130 0.50000000 1.0
C C9 1 0.00000000 0.00000000 0.00000000 1.0
C C10 1 0.16708634 0.16708634 0.00000000 1.0
C C11 1 0.83291366 0.83291366 0.00000000 1.0
C C12 1 0.00000000 0.50000000 0.00000000 1.0
C C13 1 0.50000000 0.00000000 0.00000000 1.0
