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  1. Third-Parties
  2. MatprojStructure
  3. mp-29955

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-29955
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Hg', 'Se', 'I']
  • Chemical System: Hg-I-Se
  • Density: 6.687216337342957
  • Atomic Density: 0.027814484604174818
  • Unit Cell Volume: 1006.6697405494019
  • Molar Volume: 21.651095987218497
  • Full Formula: Hg12 Se8 I8
  • Reduced Formula: Hg3(SeI)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -58.02207316999999
  • Final energy per atom: -2.072216898928571
  • 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.