Basic Information
Formula
Dy3GaC3
MP-ID
mp-3293848
Elements
3
Sites
14
Density
8.0194
g/cm³
Volume
245.68
ų
Cell a
3.5517
Å
Cell b
7.0471
Å
Cell c
9.8160
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 15.48 | 5.7246 | 13.2 | (0,1,1) |
| 22.07 | 4.0275 | 3.7 | (0,1,2) |
| 25.07 | 3.5517 | 3.6 | (1,0,0) |
| 25.28 | 3.5236 | 3.3 | (0,2,0) |
| 26.69 | 3.3398 | 17.1 | (1,0,1) |
| 26.88 | 3.3164 | 16.6 | (0,2,1) |
| 27.26 | 3.2720 | 32.3 | (0,0,3) |
| 29.60 | 3.0180 | 1.2 | (1,1,1) |
| 30.11 | 2.9677 | 4.4 | (0,1,3) |
| 31.08 | 2.8773 | 81.4 | (1,0,2) |
| 31.25 | 2.8623 | 79.5 | (0,2,2) |
| 33.64 | 2.6638 | 5.7 | (1,1,2) |
| 35.90 | 2.5014 | 100.0 | (1,2,0) |
| 36.62 | 2.4540 | 6.4 | (0,0,4) |
| 37.37 | 2.4065 | 14.8 | (1,0,3) |
| 37.51 | 2.3977 | 14.4 | (0,2,3) |
| 38.86 | 2.3175 | 6.6 | (0,1,4) |
| 39.57 | 2.2773 | 6.7 | (1,1,3) |
| 42.67 | 2.1189 | 2.6 | (0,3,2) |
| 44.90 | 2.0189 | 1.4 | (1,0,4) |
| 45.02 | 2.0137 | 1.4 | (0,2,4) |
| 45.65 | 1.9872 | 31.2 | (1,2,3) |
| 46.24 | 1.9632 | 10.1 | (0,0,5) |
| 46.81 | 1.9409 | 4.5 | (1,1,4) |
Energy Properties
Formation Energy/atom
-0.56487
eV/atom
Energy/atom
-20.16915
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.1691
eV/atom
Volume/atom
17.55
ų
c/a Ratio
2.7638
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0032
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
Dy · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.429
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.495
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293848
Reference Citation
The crystal structure and related material properties of Dy3GaC3 were obtained from the Materials Project database (MP-ID: mp-3293848, 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_Dy3GaC3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55167071
_cell_length_b 7.04711351
_cell_length_c 9.81596731
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy3GaC3
_chemical_formula_sum 'Dy6 Ga2 C6'
_cell_volume 245.68410733
_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
Dy Dy0 1 0.50000000 0.51048187 0.19529149 1.0
Dy Dy1 1 0.50000000 0.48951813 0.80470851 1.0
Dy Dy2 1 0.50000000 0.98951813 0.19529149 1.0
Dy Dy3 1 0.50000000 0.01048187 0.80470851 1.0
Dy Dy4 1 0.00000000 0.75000000 0.45706406 1.0
Dy Dy5 1 0.00000000 0.25000000 0.54293594 1.0
Ga Ga6 1 0.00000000 0.75000000 0.00109966 1.0
Ga Ga7 1 0.00000000 0.25000000 0.99890034 1.0
C C8 1 0.50000000 0.50837480 0.56696869 1.0
C C9 1 0.50000000 0.49162520 0.43303131 1.0
C C10 1 0.50000000 0.99162520 0.56696869 1.0
C C11 1 0.50000000 0.00837480 0.43303131 1.0
C C12 1 0.00000000 0.75000000 0.20881356 1.0
C C13 1 0.00000000 0.25000000 0.79118644 1.0
