HgPt
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-623 · Space group: P4/mmm (#123)
Basic Information
Formula
HgPt
MP-ID
mp-623
Elements
2
Sites
2
Density
18.0220
g/cm³
Volume
36.46
ų
Cell a
3.0237
Å
Cell b
3.0237
Å
Cell c
3.9877
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 37.32 | 2.4094 | 100.0 | (1,0,1) |
| 42.27 | 2.1381 | 35.5 | (1,1,0) |
| 45.49 | 1.9938 | 14.4 | (0,0,2) |
| 61.32 | 1.5118 | 12.0 | (2,0,0) |
| 63.83 | 1.4582 | 21.3 | (1,1,2) |
| 74.03 | 1.2806 | 28.0 | (2,1,1) |
| 78.62 | 1.2168 | 12.0 | (1,0,3) |
| 79.57 | 1.2047 | 11.6 | (2,0,2) |
Energy Properties
Formation Energy/atom
0.03880
eV/atom
Energy/atom
-50.38896
eV/atom
Energy above Hull
0.1157
eV/atom
Uncorrected Energy
-3.1305
eV/atom
Volume/atom
18.23
ų
c/a Ratio
1.3188
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
KVRH
143.364
GPa
GVRH
27.186
GPa
Young's Modulus E
76.709
GPa
Poisson Ratio ν
0.411
Pugh Ratio K/G
5.273
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.784
Lame λ
125.240
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hg · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.547
Family
Binary Alloy
Matrix Element
Hg · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7840
Homogeneous Poisson ν
0.4110
Debye Temperature
157.5
K
Sound Velocity
1,392.4
m/s
Homogeneity
0.4110
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-623
Reference Citation
The crystal structure and related material properties of HgPt were obtained from the Materials Project database (MP-ID: mp-623, 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_HgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02366100
_cell_length_b 3.02366100
_cell_length_c 3.98766000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgPt
_chemical_formula_sum 'Hg1 Pt1'
_cell_volume 36.45728460
_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
Hg Hg0 1 0.00000000 0.00000000 0.00000000 1.0
Pt Pt1 1 0.50000000 0.50000000 0.50000000 1.0
