Basic Information
Formula
Dy4TmPt3
MP-ID
mp-3293742
Elements
3
Sites
32
Density
12.1297
g/cm³
Volume
768.93
ų
Cell a
10.9285
Å
Cell b
10.9285
Å
Cell c
6.4382
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/ncc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 11.45 | 7.7276 | 2.3 | (1,1,0) |
| 16.22 | 5.4642 | 7.2 | (2,0,0) |
| 22.84 | 3.8928 | 37.9 | (2,1,1) |
| 23.02 | 3.8638 | 8.5 | (2,2,0) |
| 27.71 | 3.2191 | 2.2 | (0,0,2) |
| 28.91 | 3.0879 | 10.3 | (1,0,2) |
| 29.33 | 3.0450 | 75.2 | (3,1,1) |
| 32.28 | 2.7736 | 23.7 | (2,0,2) |
| 32.65 | 2.7423 | 66.8 | (3,2,1) |
| 33.33 | 2.6884 | 80.6 | (2,1,2) |
| 34.83 | 2.5759 | 9.4 | (3,3,0) |
| 36.32 | 2.4732 | 2.4 | (2,2,2) |
| 36.67 | 2.4510 | 86.2 | (4,1,1) |
| 36.78 | 2.4437 | 100.0 | (4,2,0) |
| 37.28 | 2.4122 | 40.6 | (3,0,2) |
| 38.21 | 2.3555 | 58.4 | (3,1,2) |
| 39.44 | 2.2847 | 26.9 | (4,2,1) |
| 40.89 | 2.2068 | 21.1 | (3,2,2) |
| 42.16 | 2.1433 | 5.5 | (5,1,0) |
| 43.44 | 2.0830 | 28.7 | (4,0,2) |
| 43.74 | 2.0697 | 4.6 | (4,3,1) |
| 44.27 | 2.0462 | 3.1 | (4,1,2) |
| 45.08 | 2.0112 | 4.5 | (3,3,2) |
| 46.20 | 1.9650 | 44.2 | (2,1,3) |
Energy Properties
Formation Energy/atom
-1.16209
eV/atom
Energy/atom
-40.85101
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.8510
eV/atom
Volume/atom
24.03
ų
c/a Ratio
0.5891
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1594
μB
Mag. Ordering
FM
Mag. Sites
16
Magnetization/Volume
0.001510
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.510
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293742
Reference Citation
The crystal structure and related material properties of Dy4TmPt3 were obtained from the Materials Project database (MP-ID: mp-3293742, 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_Dy4TmPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.92846741
_cell_length_b 10.92846741
_cell_length_c 6.43823080
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy4TmPt3
_chemical_formula_sum 'Dy16 Tm4 Pt12'
_cell_volume 768.92691792
_cell_formula_units_Z 4
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 0.29219031 0.08894154 0.38338924 1.0
Dy Dy1 1 0.29219031 0.91105846 0.88338924 1.0
Dy Dy2 1 0.70780969 0.08894154 0.88338924 1.0
Dy Dy3 1 0.70780969 0.91105846 0.38338924 1.0
Dy Dy4 1 0.58894154 0.79219031 0.88338924 1.0
Dy Dy5 1 0.58894154 0.20780969 0.38338924 1.0
Dy Dy6 1 0.41105846 0.79219031 0.38338924 1.0
Dy Dy7 1 0.41105846 0.20780969 0.88338924 1.0
Dy Dy8 1 0.20780969 0.41105846 0.61661076 1.0
Dy Dy9 1 0.20780969 0.58894154 0.11661076 1.0
Dy Dy10 1 0.79219031 0.41105846 0.11661076 1.0
Dy Dy11 1 0.79219031 0.58894154 0.61661076 1.0
Dy Dy12 1 0.91105846 0.70780969 0.11661076 1.0
Dy Dy13 1 0.91105846 0.29219031 0.61661076 1.0
Dy Dy14 1 0.08894154 0.70780969 0.61661076 1.0
Dy Dy15 1 0.08894154 0.29219031 0.11661076 1.0
Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0
Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0
Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0
Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0
Pt Pt20 1 0.84836145 0.15163855 0.25000000 1.0
Pt Pt21 1 0.84836145 0.84836145 0.75000000 1.0
Pt Pt22 1 0.15163855 0.15163855 0.75000000 1.0
Pt Pt23 1 0.15163855 0.84836145 0.25000000 1.0
Pt Pt24 1 0.65163855 0.34836145 0.75000000 1.0
Pt Pt25 1 0.65163855 0.65163855 0.25000000 1.0
Pt Pt26 1 0.34836145 0.34836145 0.25000000 1.0
Pt Pt27 1 0.34836145 0.65163855 0.75000000 1.0
Pt Pt28 1 0.50000000 0.00000000 0.12264927 1.0
Pt Pt29 1 0.50000000 0.00000000 0.62264927 1.0
Pt Pt30 1 0.00000000 0.50000000 0.87735073 1.0
Pt Pt31 1 0.00000000 0.50000000 0.37735073 1.0
