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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224700

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-1224700
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Hg', 'Sb', 'H', 'C', 'Se', 'N']
  • Chemical System: C-H-Hg-N-Sb-Se
  • Density: 4.968300301793157
  • Atomic Density: 0.04188903592526016
  • Unit Cell Volume: 1098.1393814380156
  • Molar Volume: 14.376412889389261
  • Full Formula: Hg6 Sb6 H12 C4 Se16 N2
  • Reduced Formula: Hg3Sb3H6C2Se8N
  • Formula Anonymous: AB2C3D3E6F8
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -187.6911257
  • Final energy per atom: -4.080241863043478
  • 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.