Basic Information
Formula
Sm2(Ga3Co)3
MP-ID
mp-1005789
Elements
3
Sites
28
Density
8.0944
g/cm³
Volume
453.39
ų
Cell a
7.4064
Å
Cell b
7.4064
Å
Cell c
9.5086
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.63
°
Space Group
Cmcm
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 |
|---|---|---|---|
| 16.63 | 5.3309 | 1.4 | (1,0,-1,1) |
| 23.90 | 3.7239 | 1.0 | (1,1,-2,0) |
| 24.03 | 3.7031 | 1.8 | (2,-1,-1,0) |
| 25.69 | 3.4674 | 5.2 | (1,1,-2,1) |
| 25.82 | 3.4507 | 11.4 | (2,-1,-1,1) |
| 27.71 | 3.2189 | 2.5 | (2,0,-2,0) |
| 27.87 | 3.2011 | 5.9 | (2,-2,0,0) |
| 29.29 | 3.0490 | 12.0 | (2,0,-2,1) |
| 30.49 | 2.9316 | 1.2 | (1,1,-2,2) |
| 30.60 | 2.9215 | 2.5 | (2,-1,-1,2) |
| 31.46 | 2.8436 | 1.2 | (1,0,-1,3) |
| 33.62 | 2.6655 | 4.0 | (2,0,-2,2) |
| 33.76 | 2.6553 | 10.1 | (2,-2,0,2) |
| 36.88 | 2.4372 | 8.1 | (2,1,-3,0) |
| 37.12 | 2.4217 | 6.7 | (3,-2,-1,0) |
| 37.25 | 2.4136 | 48.8 | (1,1,-2,3) |
| 37.34 | 2.4080 | 100.0 | (2,-1,-1,3) |
| 37.85 | 2.3772 | 25.6 | (0,0,0,4) |
| 38.12 | 2.3609 | 5.3 | (2,1,-3,1) |
| 38.27 | 2.3521 | 18.8 | (3,-1,-2,1) |
| 38.36 | 2.3468 | 2.2 | (3,-2,-1,1) |
| 39.92 | 2.2585 | 6.6 | (2,0,-2,3) |
| 41.64 | 2.1688 | 13.9 | (2,1,-3,2) |
| 41.86 | 2.1579 | 13.3 | (3,-2,-1,2) |
Energy Properties
Formation Energy/atom
-0.47695
eV/atom
Energy/atom
-4.62626
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-4.6263
eV/atom
Volume/atom
16.19
ų
c/a Ratio
1.2838
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0069
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.577
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1005789
Reference Citation
The crystal structure and related material properties of Sm2(Ga3Co)3 were obtained from the Materials Project database (MP-ID: mp-1005789, 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_Sm2(Ga3Co)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40643641
_cell_length_b 7.40643641
_cell_length_c 9.50859900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.63084641
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2(Ga3Co)3
_chemical_formula_sum 'Sm4 Ga18 Co6'
_cell_volume 453.38722177
_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
Sm Sm0 1 0.50300500 0.83125200 0.25000000 1.0
Sm Sm1 1 0.49699500 0.16874800 0.75000000 1.0
Sm Sm2 1 0.16874800 0.49699500 0.75000000 1.0
Sm Sm3 1 0.83125200 0.50300500 0.25000000 1.0
Ga Ga4 1 0.16313700 0.95124200 0.25000000 1.0
Ga Ga5 1 0.83686300 0.04875800 0.75000000 1.0
Ga Ga6 1 0.04875800 0.83686300 0.75000000 1.0
Ga Ga7 1 0.95124200 0.16313700 0.25000000 1.0
Ga Ga8 1 0.62339300 0.62339300 0.75000000 1.0
Ga Ga9 1 0.37660700 0.37660700 0.25000000 1.0
Ga Ga10 1 0.16537200 0.16537200 0.55526400 1.0
Ga Ga11 1 0.83462800 0.83462800 0.05526400 1.0
Ga Ga12 1 0.83462800 0.83462800 0.44473600 1.0
Ga Ga13 1 0.16537200 0.16537200 0.94473600 1.0
Ga Ga14 1 0.50186800 0.83441400 0.57119500 1.0
Ga Ga15 1 0.49813200 0.16558600 0.07119500 1.0
Ga Ga16 1 0.16558600 0.49813200 0.42880500 1.0
Ga Ga17 1 0.83441400 0.50186800 0.92880500 1.0
Ga Ga18 1 0.49813200 0.16558600 0.42880500 1.0
Ga Ga19 1 0.50186800 0.83441400 0.92880500 1.0
Ga Ga20 1 0.83441400 0.50186800 0.57119500 1.0
Ga Ga21 1 0.16558600 0.49813200 0.07119500 1.0
Co Co22 1 0.50000000 0.50000000 0.50000000 1.0
Co Co23 1 0.50000000 0.50000000 0.00000000 1.0
Co Co24 1 0.17073500 0.82926500 0.50000000 1.0
Co Co25 1 0.82926500 0.17073500 0.00000000 1.0
Co Co26 1 0.82926500 0.17073500 0.50000000 1.0
Co Co27 1 0.17073500 0.82926500 0.00000000 1.0
