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  1. Third-Parties
  2. MatprojStructure
  3. mp-560545

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-560545
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'As', 'O']
  • Chemical System: As-Ca-Na-O
  • Density: 3.567665596249697
  • Atomic Density: 0.0706575636608837
  • Unit Cell Volume: 537.8051270261523
  • Molar Volume: 8.522995201055709
  • Full Formula: Na4 Ca2 As8 O24
  • Reduced Formula: Na2Ca(AsO3)4
  • Formula Anonymous: AB2C4D12
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -242.6238845
  • Final energy per atom: -6.384839065789474
  • 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.