Rb2SiPPt2
MP-ID: mp-3293922 · Space group: Aem2 (#39)
Basic Information
Formula
Rb2SiPPt2
MP-ID
mp-3293922
Elements
4
Sites
12
Density
6.1015
g/cm³
Volume
337.56
ų
Cell a
6.8138
Å
Cell b
6.8164
Å
Cell c
7.7604
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
110.52
°
Space Group
Aem2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 15.82 | 5.6004 | 100.0 | (1,-1,0) |
| 17.99 | 4.9300 | 29.1 | (0,1,1) |
| 18.00 | 4.9289 | 28.7 | (1,0,1) |
| 22.90 | 3.8834 | 7.7 | (1,1,0) |
| 22.92 | 3.8802 | 7.2 | (0,0,2) |
| 25.65 | 3.4729 | 33.6 | (1,1,1) |
| 26.89 | 3.3157 | 28.1 | (0,1,2) |
| 26.89 | 3.3154 | 31.0 | (1,0,2) |
| 27.95 | 3.1919 | 7.5 | (0,2,0) |
| 27.96 | 3.1907 | 7.9 | (2,0,0) |
| 27.97 | 3.1895 | 15.9 | (1,-1,2) |
| 28.92 | 3.0877 | 61.0 | (1,-2,1) |
| 28.92 | 3.0868 | 60.0 | (2,-1,1) |
| 30.28 | 2.9519 | 22.8 | (0,2,1) |
| 30.29 | 2.9510 | 22.0 | (2,0,1) |
| 31.96 | 2.8002 | 39.8 | (2,-2,0) |
| 32.62 | 2.7449 | 12.8 | (1,1,2) |
| 35.30 | 2.5424 | 14.8 | (1,-2,2) |
| 35.31 | 2.5420 | 15.0 | (2,-1,2) |
| 36.45 | 2.4650 | 3.4 | (0,2,2) |
| 36.46 | 2.4645 | 3.4 | (2,0,2) |
| 37.49 | 2.3991 | 19.4 | (1,2,1) |
| 37.49 | 2.3987 | 19.6 | (2,1,1) |
| 37.51 | 2.3974 | 19.9 | (0,1,3) |
Energy Properties
Formation Energy/atom
-0.64888
eV/atom
Energy/atom
-25.41771
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4177
eV/atom
Volume/atom
28.13
ų
c/a Ratio
1.1389
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293922
Reference Citation
The crystal structure and related material properties of Rb2SiPPt2 were obtained from the Materials Project database (MP-ID: mp-3293922, 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_Rb2SiPPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81379903
_cell_length_b 6.81642175
_cell_length_c 7.76035394
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.52370745
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb2SiPPt2
_chemical_formula_sum 'Rb4 Si2 P2 Pt4'
_cell_volume 337.55745141
_cell_formula_units_Z 2
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
Rb Rb0 1 0.19216494 0.80773549 0.49790107 1.0
Rb Rb1 1 0.69216494 0.30773549 0.00209893 1.0
Rb Rb2 1 0.80756692 0.19222140 0.49331746 1.0
Rb Rb3 1 0.30756692 0.69222140 0.00668254 1.0
Si Si4 1 0.16998690 0.17148756 0.83197198 1.0
Si Si5 1 0.66998690 0.67148756 0.66802802 1.0
P P6 1 0.83215854 0.83047417 0.17060516 1.0
P P7 1 0.33215854 0.33047417 0.32939484 1.0
Pt Pt8 1 0.37189743 0.37292652 0.62329244 1.0
Pt Pt9 1 0.62622527 0.62515485 0.36847648 1.0
Pt Pt10 1 0.12622527 0.12515485 0.13152352 1.0
Pt Pt11 1 0.87189743 0.87292652 0.87670756 1.0
