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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196035

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-1196035
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'As', 'O']
  • Chemical System: As-Na-O-Zn
  • Density: 3.3159127173553498
  • Atomic Density: 0.06813573327432826
  • Unit Cell Volume: 1878.6031036702298
  • Molar Volume: 8.838447126933591
  • Full Formula: Na24 Zn12 As16 O76
  • Reduced Formula: Na6Zn3As4O19
  • Formula Anonymous: A3B4C6D19
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -698.98614887
  • Final energy per atom: -5.460829288046875
  • 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.