RbHg2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9827 · Space group: Imma (#74)

Materials Project API

Basic Information

Formula

RbHg2

MP-ID

mp-9827

Elements

Sites

Density

7.6677

g/cm³

Volume

210.78

Å³

Cell a

5.4066

Cell b

6.8146

Cell c

6.8146

α Angle

76.71

β Angle

66.63

γ Angle

66.63

Space Group

Imma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.21	6.2322	49.6	(0,1,0)
19.03	4.6638	18.1	(1,1,1)
19.03	4.6638	18.1	(1,0,0)
19.25	4.6098	17.4	(0,1,1)
21.01	4.2286	37.9	(0,1,-1)
27.53	3.2402	36.7	(1,2,1)
27.53	3.2402	36.7	(1,0,-1)
28.49	3.1327	100.0	(1,2,0)
28.65	3.1161	39.7	(0,2,0)
30.96	2.8884	3.4	(0,2,1)
33.14	2.7033	77.5	(2,1,1)
33.23	2.6959	77.1	(0,2,-1)
33.54	2.6717	63.6	(1,2,2)
33.54	2.6717	63.6	(1,-1,-1)
36.22	2.4801	8.3	(2,2,1)
36.22	2.4801	2.8	(2,1,0)
38.61	2.3319	3.3	(2,2,2)
38.61	2.3319	3.3	(2,0,0)
39.08	2.3049	8.1	(0,2,2)
39.57	2.2777	16.1	(2,2,0)
39.91	2.2587	33.3	(1,3,1)
39.91	2.2587	11.1	(1,0,-2)
41.08	2.1974	41.0	(1,3,0)
41.08	2.1974	13.7	(1,1,-2)

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Energy Properties

Formation Energy/atom

-0.26557

eV/atom

Energy/atom

-0.79886

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-37.8407

eV/atom

Volume/atom

35.13

Å³

c/a Ratio

1.2604

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

10.747

GPa

G_VRH

4.682

GPa

Young's Modulus E

12.265

GPa

Poisson Ratio ν

0.310

Pugh Ratio K/G

2.295

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.813

Lame λ

7.626

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hg · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Binary Alloy

Matrix Element

Hg · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.8130

Homogeneous Poisson ν

0.3100

Debye Temperature

84.7

Sound Velocity

873.9

m/s

Homogeneity

0.3100

Related Tasks

Related computation task IDs (5)

aaadmvus aaadsrck aaaelesd aaaeulgw aaafyifi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9827

Reference Citation

The crystal structure and related material properties of RbHg2 were obtained from the Materials Project database (MP-ID: mp-9827, 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…

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Raw CIF Data

# generated using pymatgen
data_RbHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40662466
_cell_length_b   6.81459715
_cell_length_c   6.81459703
_cell_angle_alpha   76.70822212
_cell_angle_beta   66.62829027
_cell_angle_gamma   66.62830270
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbHg2
_chemical_formula_sum   'Rb2 Hg4'
_cell_volume   210.78020724
_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  0.94804581  0.30195419  0.30195419  1.0
  Rb  Rb1  1  0.05195419  0.69804581  0.69804581  1.0
  Hg  Hg2  1  0.33552236  0.10225980  0.72669448  1.0
  Hg  Hg3  1  0.66447764  0.89774020  0.27330552  1.0
  Hg  Hg4  1  0.66447764  0.27330552  0.89774020  1.0
  Hg  Hg5  1  0.33552236  0.72669448  0.10225980  1.0

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