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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216961

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-1216961
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['V', 'In', 'S']
  • Chemical System: In-S-V
  • Density: 4.5064793957886895
  • Atomic Density: 0.06231793470350293
  • Unit Cell Volume: 706.05677497728
  • Molar Volume: 9.663575644238241
  • Full Formula: V18 In2 S24
  • Reduced Formula: V9InS12
  • Formula Anonymous: AB9C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -322.56498997
  • Final energy per atom: -7.331022499318181
  • 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.