Basic Information
Formula
K4(PtO2)3
MP-ID
mp-3293860
Elements
3
Sites
13
Density
5.7393
g/cm³
Volume
242.35
ų
Cell a
5.4559
Å
Cell b
5.4559
Å
Cell c
8.7761
Å
α Angle
89.70
°
β Angle
89.70
°
γ Angle
68.08
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 17.52 | 5.0616 | 100.0 | (1,0,0) |
| 19.64 | 4.5208 | 41.8 | (1,1,0) |
| 20.22 | 4.3914 | 1.6 | (1,0,1) |
| 20.29 | 4.3778 | 2.0 | (1,0,-1) |
| 22.06 | 4.0295 | 7.7 | (1,1,1) |
| 22.18 | 4.0085 | 4.3 | (1,1,-1) |
| 28.25 | 3.1588 | 3.1 | (1,1,2) |
| 28.44 | 3.1387 | 5.2 | (1,1,-2) |
| 29.24 | 3.0542 | 24.9 | (1,-1,0) |
| 30.56 | 2.9253 | 13.9 | (0,0,3) |
| 33.15 | 2.7028 | 33.5 | (2,1,0) |
| 34.67 | 2.5873 | 9.1 | (2,1,1) |
| 34.79 | 2.5789 | 3.6 | (2,1,-1) |
| 35.39 | 2.5367 | 20.7 | (1,0,3) |
| 35.47 | 2.5308 | 10.5 | (2,0,0) |
| 35.50 | 2.5288 | 18.2 | (1,0,-3) |
| 36.48 | 2.4632 | 4.8 | (1,1,3) |
| 36.70 | 2.4488 | 6.7 | (1,1,-3) |
| 36.93 | 2.4340 | 2.3 | (2,0,1) |
| 39.04 | 2.3072 | 1.0 | (2,1,2) |
| 39.25 | 2.2954 | 4.6 | (2,1,-2) |
| 39.88 | 2.2604 | 2.4 | (2,2,0) |
| 41.11 | 2.1957 | 5.5 | (2,0,2) |
| 41.18 | 2.1924 | 2.6 | (2,2,1) |
Energy Properties
Formation Energy/atom
-1.17078
eV/atom
Energy/atom
-17.66088
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.6609
eV/atom
Volume/atom
18.64
ų
c/a Ratio
1.6086
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0007
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.008260
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.443
Family
O-rich Multi-Component
Matrix Element
O · 0.462
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293860
Reference Citation
The crystal structure and related material properties of K4(PtO2)3 were obtained from the Materials Project database (MP-ID: mp-3293860, 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_K4(PtO2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45590554
_cell_length_b 5.45590624
_cell_length_c 8.77609260
_cell_angle_alpha 89.69580154
_cell_angle_beta 89.69579999
_cell_angle_gamma 68.08316371
_symmetry_Int_Tables_number 1
_chemical_formula_structural K4(PtO2)3
_chemical_formula_sum 'K4 Pt3 O6'
_cell_volume 242.35168177
_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
K K0 1 0.67864794 0.67864794 0.63232921 1.0
K K1 1 0.32135206 0.32135206 0.36767079 1.0
K K2 1 0.65023796 0.65023796 0.09841797 1.0
K K3 1 0.34976204 0.34976204 0.90158203 1.0
Pt Pt4 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt5 1 0.95738256 0.95738256 0.33076880 1.0
Pt Pt6 1 0.04261744 0.04261744 0.66923120 1.0
O O7 1 0.13213262 0.71448878 0.15845831 1.0
O O8 1 0.71448878 0.13213262 0.15845831 1.0
O O9 1 0.86786738 0.28551122 0.84154169 1.0
O O10 1 0.28551122 0.86786738 0.84154169 1.0
O O11 1 0.20657353 0.79342647 0.50000000 1.0
O O12 1 0.79342647 0.20657353 0.50000000 1.0
