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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216409

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-1216409
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Zn', 'Hg', 'S', 'I']
  • Chemical System: Hg-I-S-Zn
  • Density: 4.662955413284422
  • Atomic Density: 0.02771172918253902
  • Unit Cell Volume: 793.8876659440674
  • Molar Volume: 21.731378508831966
  • Full Formula: Zn4 Hg6 S8 I4
  • Reduced Formula: Zn2Hg3(S2I)2
  • Formula Anonymous: A2B2C3D4
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -54.5426432
  • Final energy per atom: -2.4792110545454547
  • 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.