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  1. Third-Parties
  2. MatprojStructure
  3. mp-570838

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-570838
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'As', 'I']
  • Chemical System: As-Cd-Hg-I
  • Density: 6.390187402638422
  • Atomic Density: 0.02692405871672759
  • Unit Cell Volume: 817.1130597903378
  • Molar Volume: 22.367135740416867
  • Full Formula: Cd2 Hg8 As4 I8
  • Reduced Formula: CdHg4(AsI2)2
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -44.20625272
  • Final energy per atom: -2.0093751236363637
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.