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  1. Third-Parties
  2. MatprojStructure
  3. mp-556255

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-556255
  • 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: 88
  • Number of elements: 4
  • Element list: ['K', 'V', 'As', 'O']
  • Chemical System: As-K-O-V
  • Density: 3.117842419970319
  • Atomic Density: 0.06414647041592027
  • Unit Cell Volume: 1371.8603600387594
  • Molar Volume: 9.388109308201917
  • Full Formula: K12 V12 As8 O56
  • Reduced Formula: K3V3(AsO7)2
  • Formula Anonymous: A2B3C3D14
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -628.20658607
  • Final energy per atom: -7.1387112053409085
  • 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.