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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216836

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-1216836
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 2
  • Element list: ['V', 'As']
  • Chemical System: As-V
  • Density: 7.080881525684507
  • Atomic Density: 0.07172692690235287
  • Unit Cell Volume: 432.19473270062963
  • Molar Volume: 8.395927471141183
  • Full Formula: V20 As11
  • Reduced Formula: V20As11
  • Formula Anonymous: A11B20
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -246.0092904
  • Final energy per atom: -7.9357835612903225
  • 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.