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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217432

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-1217432
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 4
  • Element list: ['V', 'Ga', 'Ge', 'S']
  • Chemical System: Ga-Ge-S-V
  • Density: 3.890878218215787
  • Atomic Density: 0.05722037126781536
  • Unit Cell Volume: 1135.9590747108703
  • Molar Volume: 10.524469916166488
  • Full Formula: V20 Ga1 Ge4 S40
  • Reduced Formula: V20Ga(GeS10)4
  • Formula Anonymous: AB4C20D40
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -444.13449537
  • Final energy per atom: -6.832838390307693
  • 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.