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  1. Third-Parties
  2. MatprojStructure
  3. mp-560934

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-560934
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'P', 'O']
  • Chemical System: Na-O-P-Zn
  • Density: 3.269445830036903
  • Atomic Density: 0.07060667417839242
  • Unit Cell Volume: 1529.6004415550133
  • Molar Volume: 8.529138116298558
  • Full Formula: Na8 Zn20 P16 O64
  • Reduced Formula: Na2Zn5(PO4)4
  • Formula Anonymous: A2B4C5D16
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -702.24460225
  • Final energy per atom: -6.502264835648147
  • 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.