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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227680

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-1227680
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'Sb', 'I']
  • Chemical System: Cd-Hg-I-Sb
  • Density: 6.400271798990665
  • Atomic Density: 0.025551091386297548
  • Unit Cell Volume: 2661.3344601188664
  • Molar Volume: 23.56901577687415
  • Full Formula: Cd4 Hg24 Sb16 I24
  • Reduced Formula: CdHg6(Sb2I3)2
  • Formula Anonymous: AB4C6D6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -141.71159567
  • Final energy per atom: -2.0839940539705886
  • 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.