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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200323

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-1200323
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Na', 'Nb', 'As', 'O']
  • Chemical System: As-Na-Nb-O
  • Density: 3.4667349621636268
  • Atomic Density: 0.06871806458680219
  • Unit Cell Volume: 873.1328561241734
  • Molar Volume: 8.763548269601001
  • Full Formula: Na12 Nb4 As8 O36
  • Reduced Formula: Na3NbAs2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -405.1601808
  • Final energy per atom: -6.7526696799999995
  • 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.