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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212552

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-1212552
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Ge', 'As', 'I']
  • Chemical System: As-Ge-I
  • Density: 5.270960587458964
  • Atomic Density: 0.03889592439732393
  • Unit Cell Volume: 1388.3202632848404
  • Molar Volume: 15.482703787891793
  • Full Formula: Ge24 As22 I8
  • Reduced Formula: Ge12As11I4
  • Formula Anonymous: A4B11C12
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -228.34220227
  • Final energy per atom: -4.228559301296296
  • 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.