Dy3Ga
Traditional Materials TRAMP-ID: mp-984713 · Space group: Pm-3m (#221)
Basic Information
Formula
Dy3Ga
MP-ID
mp-984713
Elements
2
Sites
4
Density
8.7956
g/cm³
Volume
105.20
ų
Cell a
4.7207
Å
Cell b
4.7207
Å
Cell c
4.7207
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.80 | 4.7207 | 7.2 | (1,0,0) |
| 26.71 | 3.3380 | 6.2 | (1,1,0) |
| 32.86 | 2.7255 | 100.0 | (1,1,1) |
| 38.13 | 2.3603 | 50.2 | (2,0,0) |
| 42.84 | 2.1112 | 3.6 | (2,1,0) |
| 47.16 | 1.9272 | 2.7 | (2,1,1) |
| 55.02 | 1.6690 | 34.7 | (2,2,0) |
| 58.67 | 1.5736 | 1.8 | (3,0,0) |
| 62.19 | 1.4928 | 1.2 | (3,1,0) |
| 65.59 | 1.4233 | 40.8 | (3,1,1) |
| 68.90 | 1.3627 | 11.7 | (2,2,2) |
| 75.33 | 1.2617 | 1.4 | (3,2,1) |
| 81.57 | 1.1802 | 5.6 | (4,0,0) |
| 84.65 | 1.1449 | 1.1 | (3,2,2) |
Energy Properties
Formation Energy/atom
-0.30741
eV/atom
Energy/atom
-27.15446
eV/atom
Energy above Hull
0.0951
eV/atom
Uncorrected Energy
-4.4528
eV/atom
Volume/atom
26.30
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0213
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000200
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.658
Family
Binary Alloy
Matrix Element
Dy · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-984713
Reference Citation
The crystal structure and related material properties of Dy3Ga were obtained from the Materials Project database (MP-ID: mp-984713, 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_Dy3Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72068600
_cell_length_b 4.72068600
_cell_length_c 4.72068600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy3Ga
_chemical_formula_sum 'Dy3 Ga1'
_cell_volume 105.19990361
_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
Dy Dy0 1 0.50000000 0.50000000 0.00000000 1.0
Dy Dy1 1 0.00000000 0.50000000 0.50000000 1.0
Dy Dy2 1 0.50000000 0.00000000 0.50000000 1.0
Ga Ga3 1 0.00000000 0.00000000 0.00000000 1.0
