Basic Information
Formula
Pr3(Ge3Pt2)2
MP-ID
mp-645543
Elements
3
Sites
52
Density
10.5007
g/cm³
Volume
1,036.67
ų
Cell a
4.4450
Å
Cell b
8.8668
Å
Cell c
26.3033
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
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 |
|---|---|---|---|
| 13.47 | 6.5758 | 9.3 | (0,0,4) |
| 20.31 | 4.3717 | 8.3 | (0,2,1) |
| 21.10 | 4.2109 | 13.4 | (1,0,2) |
| 22.47 | 3.9564 | 3.7 | (0,2,3) |
| 24.17 | 3.6826 | 1.1 | (1,0,4) |
| 26.29 | 3.3901 | 18.2 | (0,2,5) |
| 27.12 | 3.2879 | 9.3 | (0,0,8) |
| 28.60 | 3.1212 | 11.7 | (1,0,6) |
| 28.64 | 3.1168 | 30.6 | (1,2,1) |
| 30.24 | 2.9553 | 18.6 | (1,2,3) |
| 31.20 | 2.8665 | 2.0 | (0,2,7) |
| 33.23 | 2.6958 | 2.9 | (0,3,4) |
| 33.24 | 2.6956 | 100.0 | (1,2,5) |
| 33.91 | 2.6433 | 62.3 | (1,0,8) |
| 34.09 | 2.6303 | 3.3 | (0,0,10) |
| 34.82 | 2.5768 | 3.4 | (0,3,5) |
| 36.51 | 2.4612 | 1.5 | (1,3,0) |
| 36.67 | 2.4507 | 1.7 | (0,3,6) |
| 36.67 | 2.4505 | 3.0 | (1,3,1) |
| 36.84 | 2.4401 | 48.8 | (0,2,9) |
| 37.17 | 2.4192 | 3.6 | (1,3,2) |
| 37.97 | 2.3696 | 4.0 | (1,3,3) |
| 38.76 | 2.3231 | 1.2 | (0,3,7) |
| 39.08 | 2.3050 | 2.0 | (1,3,4) |
Energy Properties
Formation Energy/atom
-0.91136
eV/atom
Energy/atom
-6.01976
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.0312
eV/atom
Volume/atom
19.94
ų
c/a Ratio
5.9176
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Ge · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.455
Family
Ge-rich Multi-Component
Matrix Element
Ge · 0.462
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-645543
Reference Citation
The crystal structure and related material properties of Pr3(Ge3Pt2)2 were obtained from the Materials Project database (MP-ID: mp-645543, 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_Pr3(Ge3Pt2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44494535
_cell_length_b 8.86678271
_cell_length_c 26.30328376
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr3(Ge3Pt2)2
_chemical_formula_sum 'Pr12 Ge24 Pt16'
_cell_volume 1036.67460910
_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
Pr Pr0 1 0.25000000 0.87472157 0.72033027 1.0
Pr Pr1 1 0.75000000 0.88451078 0.40787959 1.0
Pr Pr2 1 0.25000000 0.38451078 0.09212041 1.0
Pr Pr3 1 0.75000000 0.61548922 0.90787959 1.0
Pr Pr4 1 0.75000000 0.36672063 0.40745220 1.0
Pr Pr5 1 0.75000000 0.12527843 0.27966973 1.0
Pr Pr6 1 0.25000000 0.11548922 0.59212041 1.0
Pr Pr7 1 0.25000000 0.63327937 0.59254780 1.0
Pr Pr8 1 0.25000000 0.86672063 0.09254780 1.0
Pr Pr9 1 0.75000000 0.37472157 0.77966973 1.0
Pr Pr10 1 0.25000000 0.62527843 0.22033027 1.0
Pr Pr11 1 0.75000000 0.13327937 0.90745220 1.0
Ge Ge12 1 0.75000000 0.87733685 0.99849428 1.0
Ge Ge13 1 0.25000000 0.62610993 0.35937182 1.0
Ge Ge14 1 0.25000000 0.12525013 0.36222118 1.0
Ge Ge15 1 0.25000000 0.27352124 0.21498832 1.0
Ge Ge16 1 0.75000000 0.87474987 0.63777882 1.0
Ge Ge17 1 0.75000000 0.77352124 0.28501168 1.0
Ge Ge18 1 0.75000000 0.47646043 0.28472348 1.0
Ge Ge19 1 0.25000000 0.37733685 0.50150572 1.0
Ge Ge20 1 0.25000000 0.62738627 0.99798496 1.0
Ge Ge21 1 0.25000000 0.97646043 0.21527652 1.0
Ge Ge22 1 0.75000000 0.02353957 0.78472348 1.0
Ge Ge23 1 0.25000000 0.12266315 0.00150572 1.0
Ge Ge24 1 0.75000000 0.62525013 0.13777882 1.0
Ge Ge25 1 0.25000000 0.87389007 0.85937182 1.0
Ge Ge26 1 0.25000000 0.87261373 0.49798496 1.0
Ge Ge27 1 0.75000000 0.12738627 0.50201504 1.0
Ge Ge28 1 0.75000000 0.12610993 0.14062818 1.0
Ge Ge29 1 0.75000000 0.62266315 0.49849428 1.0
Ge Ge30 1 0.75000000 0.72647876 0.78501168 1.0
Ge Ge31 1 0.25000000 0.37474987 0.86222118 1.0
Ge Ge32 1 0.25000000 0.22647876 0.71498832 1.0
Ge Ge33 1 0.75000000 0.37261373 0.00201504 1.0
Ge Ge34 1 0.75000000 0.37389007 0.64062818 1.0
Ge Ge35 1 0.25000000 0.52353957 0.71527652 1.0
Pt Pt36 1 0.75000000 0.87774772 0.18719516 1.0
Pt Pt37 1 0.25000000 0.12822376 0.45705928 1.0
Pt Pt38 1 0.75000000 0.87177624 0.54294072 1.0
Pt Pt39 1 0.25000000 0.12225228 0.81280484 1.0
Pt Pt40 1 0.75000000 0.37803841 0.54746417 1.0
Pt Pt41 1 0.75000000 0.37336168 0.18737357 1.0
Pt Pt42 1 0.25000000 0.37774772 0.31280484 1.0
Pt Pt43 1 0.75000000 0.12663832 0.68737357 1.0
Pt Pt44 1 0.25000000 0.87336168 0.31262643 1.0
Pt Pt45 1 0.75000000 0.62225228 0.68719516 1.0
Pt Pt46 1 0.75000000 0.12196159 0.04746417 1.0
Pt Pt47 1 0.25000000 0.62196159 0.45253583 1.0
Pt Pt48 1 0.25000000 0.62663832 0.81262643 1.0
Pt Pt49 1 0.25000000 0.37177624 0.95705928 1.0
Pt Pt50 1 0.75000000 0.62822376 0.04294072 1.0
Pt Pt51 1 0.25000000 0.87803841 0.95253583 1.0
