Basic Information
Formula
VPd3Pt5
MP-ID
mp-3202244
Elements
3
Sites
9
Density
16.6872
g/cm³
Volume
133.90
ų
Cell a
6.1856
Å
Cell b
6.1856
Å
Cell c
6.1804
Å
α Angle
95.67
°
β Angle
95.67
°
γ Angle
143.38
°
Space Group
Fmm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oF
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 |
|---|---|---|---|
| 15.09 | 5.8724 | 1.4 | (1,-1,0) |
| 15.10 | 5.8669 | 6.8 | (0,0,1) |
| 21.41 | 4.1505 | 1.7 | (1,-1,1) |
| 25.30 | 3.5198 | 1.1 | (1,0,0) |
| 25.30 | 3.5198 | 3.3 | (0,1,0) |
| 30.44 | 2.9362 | 1.4 | (2,-2,0) |
| 30.47 | 2.9335 | 1.5 | (0,0,2) |
| 33.37 | 2.6850 | 4.4 | (2,-1,0) |
| 33.38 | 2.6840 | 1.2 | (1,0,1) |
| 33.38 | 2.6840 | 1.2 | (1,0,-2) |
| 34.15 | 2.6257 | 1.4 | (2,-2,1) |
| 40.00 | 2.2541 | 100.0 | (2,-1,1) |
| 46.39 | 1.9575 | 16.2 | (3,-3,0) |
| 46.43 | 1.9556 | 16.3 | (0,0,3) |
| 46.75 | 1.9433 | 16.2 | (1,1,-1) |
| 51.10 | 1.7874 | 1.5 | (2,-1,2) |
| 67.73 | 1.3835 | 10.3 | (3,-3,3) |
| 67.97 | 1.3791 | 10.3 | (4,-2,-1) |
| 68.01 | 1.3785 | 5.2 | (1,1,2) |
| 68.01 | 1.3785 | 5.2 | (1,1,-4) |
| 81.63 | 1.1795 | 12.2 | (5,-4,-2) |
| 81.69 | 1.1787 | 6.2 | (2,-1,4) |
| 81.69 | 1.1787 | 6.2 | (2,-1,-5) |
| 82.15 | 1.1733 | 9.4 | (3,0,0) |
Energy Properties
Formation Energy/atom
-0.27486
eV/atom
Energy/atom
-38.09814
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0981
eV/atom
Volume/atom
14.88
ų
c/a Ratio
0.9992
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.563
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.556
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3202244
Reference Citation
The crystal structure and related material properties of VPd3Pt5 were obtained from the Materials Project database (MP-ID: mp-3202244, 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_VPd3Pt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18561103
_cell_length_b 6.18561080
_cell_length_c 6.18036442
_cell_angle_alpha 95.66887103
_cell_angle_beta 95.66887984
_cell_angle_gamma 143.37997859
_symmetry_Int_Tables_number 1
_chemical_formula_structural VPd3Pt5
_chemical_formula_sum 'V1 Pd3 Pt5'
_cell_volume 133.90261321
_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
V V0 1 0.00650278 0.00650278 0.01300556 1.0
Pd Pd1 1 0.67101897 0.00065411 0.67167307 1.0
Pd Pd2 1 0.00065411 0.67101897 0.67167307 1.0
Pd Pd3 1 0.33689614 0.33689614 0.67379329 1.0
Pt Pt4 1 0.65780130 0.33826196 0.99606226 1.0
Pt Pt5 1 0.33826196 0.65780130 0.99606226 1.0
Pt Pt6 1 0.66163501 0.66163501 0.32326703 1.0
Pt Pt7 1 0.32822437 0.99900736 0.32723173 1.0
Pt Pt8 1 0.99900736 0.32822437 0.32723173 1.0
