Basic Information
Formula
Er2Si2Pt3
MP-ID
mp-3295389
Elements
3
Sites
14
Density
13.4015
g/cm³
Volume
241.85
ų
Cell a
4.1448
Å
Cell b
6.6166
Å
Cell c
8.8187
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbam
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 |
|---|---|---|---|
| 20.14 | 4.4094 | 9.2 | (0,0,2) |
| 21.44 | 4.1448 | 1.9 | (1,0,0) |
| 24.26 | 3.6693 | 6.4 | (0,1,2) |
| 27.33 | 3.2632 | 14.6 | (1,1,1) |
| 28.82 | 3.0975 | 4.1 | (0,2,1) |
| 29.58 | 3.0200 | 5.1 | (1,0,2) |
| 32.59 | 2.7474 | 100.0 | (1,1,2) |
| 33.35 | 2.6864 | 34.6 | (0,1,3) |
| 34.69 | 2.5857 | 46.4 | (1,2,0) |
| 36.20 | 2.4812 | 67.0 | (1,2,1) |
| 39.99 | 2.2543 | 55.4 | (1,1,3) |
| 40.44 | 2.2305 | 21.1 | (1,2,2) |
| 40.93 | 2.2047 | 3.5 | (0,0,4) |
| 41.08 | 2.1975 | 9.3 | (0,2,3) |
| 42.24 | 2.1397 | 33.5 | (0,3,1) |
| 43.26 | 2.0916 | 23.2 | (0,1,4) |
| 43.68 | 2.0724 | 44.9 | (2,0,0) |
| 46.01 | 1.9726 | 18.2 | (0,3,2) |
| 46.66 | 1.9465 | 9.7 | (1,0,4) |
| 46.79 | 1.9415 | 9.3 | (1,2,3) |
| 48.54 | 1.8756 | 1.9 | (2,0,2) |
| 48.77 | 1.8673 | 1.3 | (1,1,4) |
| 49.70 | 1.8346 | 7.2 | (0,2,4) |
| 50.58 | 1.8045 | 1.9 | (2,1,2) |
Energy Properties
Formation Energy/atom
-1.32955
eV/atom
Energy/atom
-35.59548
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.5955
eV/atom
Volume/atom
17.28
ų
c/a Ratio
2.1277
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.429
Element Family
N/A
Solute Fraction
0.571
Interstitial Fraction
0.286
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.429
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295389
Reference Citation
The crystal structure and related material properties of Er2Si2Pt3 were obtained from the Materials Project database (MP-ID: mp-3295389, 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_Er2Si2Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14481890
_cell_length_b 6.61664402
_cell_length_c 8.81873215
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Si2Pt3
_chemical_formula_sum 'Er4 Si4 Pt6'
_cell_volume 241.85188772
_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
Er Er0 1 0.00000000 0.88793630 0.32986703 1.0
Er Er1 1 0.00000000 0.11206370 0.67013297 1.0
Er Er2 1 0.00000000 0.38793630 0.17013297 1.0
Er Er3 1 0.00000000 0.61206370 0.82986703 1.0
Si Si4 1 0.50000000 0.57275852 0.35658322 1.0
Si Si5 1 0.50000000 0.42724148 0.64341678 1.0
Si Si6 1 0.50000000 0.07275852 0.14341678 1.0
Si Si7 1 0.50000000 0.92724148 0.85658322 1.0
Pt Pt8 1 0.50000000 0.69461314 0.09010316 1.0
Pt Pt9 1 0.50000000 0.30538686 0.90989684 1.0
Pt Pt10 1 0.50000000 0.19461314 0.40989684 1.0
Pt Pt11 1 0.50000000 0.80538686 0.59010316 1.0
Pt Pt12 1 0.00000000 0.50000000 0.50000000 1.0
Pt Pt13 1 0.00000000 0.00000000 0.00000000 1.0
