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  1. Third-Parties
  2. MatprojStructure
  3. mp-605347

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-605347
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Hg', 'Te', 'H', 'O']
  • Chemical System: H-Hg-O-Te
  • Density: 4.9532097352739415
  • Atomic Density: 0.08358989609388894
  • Unit Cell Volume: 574.2320811846203
  • Molar Volume: 7.2043883787531895
  • Full Formula: Hg4 Te4 H16 O24
  • Reduced Formula: HgTe(H2O3)2
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -243.90652123
  • Final energy per atom: -5.081385858958334
  • 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.