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  1. Third-Parties
  2. MatprojStructure
  3. mp-568612

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-568612
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Sn', 'Hg', 'P', 'Cl']
  • Chemical System: Cl-Hg-P-Sn
  • Density: 6.167600572718461
  • Atomic Density: 0.038063220504291215
  • Unit Cell Volume: 1786.501486187532
  • Molar Volume: 15.82141679083899
  • Full Formula: Sn4 Hg24 P16 Cl24
  • Reduced Formula: SnHg6(P2Cl3)2
  • Formula Anonymous: AB4C6D6
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -199.85911965
  • Final energy per atom: -2.939104700735294
  • 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.