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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216969

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-1216969
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 3.857020931229651
  • Atomic Density: 0.0567846872441617
  • Unit Cell Volume: 1144.6747909434503
  • Molar Volume: 10.605219562284663
  • Full Formula: V20 Ga2 Ge3 S40
  • Reduced Formula: V20Ga2Ge3S40
  • Formula Anonymous: A2B3C20D40
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -443.65796805
  • Final energy per atom: -6.8255072007692315
  • 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.