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  1. Third-Parties
  2. MatprojStructure
  3. mp-1076888

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-1076888
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['K', 'Na', 'V', 'Mo', 'O']
  • Chemical System: K-Mo-Na-O-V
  • Density: 3.950632132576837
  • Atomic Density: 0.07229212451585214
  • Unit Cell Volume: 1991.9182201987137
  • Molar Volume: 8.330286044753702
  • Full Formula: K12 Na20 V12 Mo20 O80
  • Reduced Formula: K3Na5V3(MoO4)5
  • Formula Anonymous: A3B3C5D5E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1055.48686229
  • Final energy per atom: -7.32976987701389
  • 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.