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  1. Third-Parties
  2. MatprojStructure
  3. mp-24733

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-24733
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 184
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P-Zn
  • Density: 2.232315738771314
  • Atomic Density: 0.08849919765195906
  • Unit Cell Volume: 2079.1148946187864
  • Molar Volume: 6.804740517177662
  • Full Formula: Na8 Zn8 P24 H64 O80
  • Reduced Formula: NaZnP3(H4O5)2
  • Formula Anonymous: ABC3D8E10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1084.28365945
  • Final energy per atom: -5.892845975271739
  • 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.