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  1. Third-Parties
  2. MatprojStructure
  3. mp-571478

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-571478
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Sn', 'Hg', 'As', 'I']
  • Chemical System: As-Hg-I-Sn
  • Density: 6.968478235155344
  • Atomic Density: 0.029233223615900993
  • Unit Cell Volume: 2462.951091060537
  • Molar Volume: 20.600330771336292
  • Full Formula: Sn4 Hg28 As16 I24
  • Reduced Formula: SnHg7(As2I3)2
  • Formula Anonymous: AB4C6D7
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -159.5369543
  • Final energy per atom: -2.2157910319444443
  • 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.