HgOs

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978009 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

HgOs

MP-ID

mp-978009

Elements

Sites

Density

18.7367

g/cm³

Volume

34.64

Å³

Cell a

2.8927

Cell b

2.8927

Cell c

4.7797

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 17)

2θ	d (Å)	I	hkl
35.85	2.5051	35.3	(1,0,-1,0)
37.64	2.3898	41.2	(0,0,0,2)
40.66	2.2189	100.0	(1,0,-1,1)
40.66	2.2189	50.0	(1,-1,0,1)
52.95	1.7292	15.7	(1,0,-1,2)
52.95	1.7292	7.9	(1,-1,0,2)
64.42	1.4463	8.7	(1,1,-2,0)
64.42	1.4463	17.5	(2,-1,-1,0)
69.98	1.3444	30.9	(1,0,-1,3)
75.97	1.2526	2.8	(2,0,-2,0)
75.97	1.2526	1.4	(2,-2,0,0)
77.08	1.2374	31.8	(2,-1,-1,2)
79.03	1.2117	14.9	(2,0,-2,1)
79.03	1.2117	7.5	(2,-2,0,1)
80.36	1.1949	4.8	(0,0,0,4)
88.04	1.1094	4.0	(2,0,-2,2)
88.04	1.1094	2.0	(2,-2,0,2)

Get direct link

Energy Properties

Formation Energy/atom

0.99148

eV/atom

Energy/atom

-50.18503

eV/atom

Energy above Hull

0.9915

eV/atom

Uncorrected Energy

-4.7740

eV/atom

Volume/atom

17.32

Å³

c/a Ratio

1.6523

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0036

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000100

μB/Å³

Elastic Properties

K_VRH

188.781

GPa

G_VRH

64.102

GPa

Young's Modulus E

172.753

GPa

Poisson Ratio ν

0.347

Pugh Ratio K/G

2.945

Vickers Hardness Est.

3.445

GPa

Ductility

Brittle

Anisotropy

0.370

Lame λ

146.046

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

Score

0.424

Family

Binary Alloy

Matrix Element

Hg · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3700

Homogeneous Poisson ν

0.3470

Debye Temperature

239.2

Sound Velocity

2,078.9

m/s

Homogeneity

0.3470

Related Tasks

Related computation task IDs (5)

aaadnpjc aaadseuy aaaecwsw aaaeskvf aaafcngl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978009

Reference Citation

The crystal structure and related material properties of HgOs were obtained from the Materials Project database (MP-ID: mp-978009, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89268775
_cell_length_b   2.89268775
_cell_length_c   4.77968300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOs
_chemical_formula_sum   'Hg1 Os1'
_cell_volume   34.63640929
_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  0.33333300  0.66666700  0.50000000  1.0
  Os  Os1  1  0.00000000  0.00000000  0.00000000  1.0

Get direct link