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  1. Third-Parties
  2. MatprojStructure
  3. mp-725598

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-725598
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Na', 'As', 'O']
  • Chemical System: As-Na-O
  • Density: 2.5022832363082936
  • Atomic Density: 0.06217018299616405
  • Unit Cell Volume: 257.3580972246328
  • Molar Volume: 9.686541795078151
  • Full Formula: Na2 As2 O12
  • Reduced Formula: NaAsO6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -82.02490603
  • Final energy per atom: -5.126556626875
  • 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.