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  1. Third-Parties
  2. MatprojStructure
  3. mp-849748

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-849748
  • 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: 184
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-Na-O-P
  • Density: 2.0153131423623893
  • Atomic Density: 0.09054927477159333
  • Unit Cell Volume: 2032.042779626144
  • Molar Volume: 6.6506780702447275
  • Full Formula: Na8 Mg8 P24 H64 O80
  • Reduced Formula: NaMgP3(H4O5)2
  • Formula Anonymous: ABC3D8E10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1112.66815128
  • Final energy per atom: -6.047109517826088
  • 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.